SCHEMBL3716792

SCHEMBL3716792

O=C(O)NCc1ncc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPK10 P53779 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 4/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAMPT P43490 1/20 0.32
FFAR1 O14842 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2886185 0.81 RAB9A (0.36) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL17740013 0.80 MAOB (0.38) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21067103 0.80 AGBL2 (0.40) ALDH1A1TSHRCYP1A2CYP2D6CYP2C9
SCHEMBL21527961 0.78 TSHR (0.38) KDM4ETSHRCYP1A2CYP2D6CYP2C9
SCHEMBL20209550 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL17057294 0.77 SMN1; SMN2 (0.42) ALDH1A1KDM4ETSHRCYP1A2CYP2D6
SCHEMBL2099046 0.76 KDM4E (0.47) ALDH1A1KDM4ETSHRCYP1A2CYP2D6
SCHEMBL4637326 0.76 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL26463315 0.75 RIPK1 (0.34) ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL22202148 0.74 MEN1 (0.33) KDM4ERAB9ANPC1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4382519-A1 CYCLIN K DEGRADATION AGENT Adlai Nortye Biopharma Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20230391778-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US disclosed
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2023-07-20 US disclosed
WO-2023049723-A1 PRC2 INHIBITORS FOR USE IN TREATING BLOOD DISORDERS ORIC PHARMACEUTICALS, INC. (US) 2023-03-30 WO disclosed
US-11597732-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2023-03-07 US disclosed
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2022-12-22 US disclosed
US-11261195-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2022-03-01 US disclosed
US-20220033395-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-02-03 US disclosed
US-20210246133-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-08-12 US disclosed
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2021-07-15 US disclosed
US-20170101409-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-04-13 US disclosed
WO-2015197567-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-12-30 WO disclosed
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-23 US disclosed
EP-2385832-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-15 EP disclosed
US-8906909-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2014-12-09 US disclosed
US-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-8461157-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-06-11 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
WO-2010080996-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2010-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170101409-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN-2-ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ALDH1A1 700/4885KDM4E 4502/4885TSHR 387/4885
US-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB ALDH1A1 3415/4885KDM4E 868/4885TSHR 2427/4885
US-20210246133-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ALDH1A1 700/4885KDM4E 4502/4885TSHR 387/4885
US-11261195-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB ALDH1A1 3415/4885KDM4E 868/4885TSHR 2427/4885
US-20210214370-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB ALDH1A1 3440/4885KDM4E 856/4885TSHR 2449/4885
US-11597732-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety BAZ2A, BAZ2B, PI4KB ALDH1A1 3440/4885KDM4E 856/4885TSHR 2449/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB ALDH1A1 3415/4885KDM4E 868/4885TSHR 2427/4885
US-20220402934-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB ALDH1A1 3415/4885KDM4E 868/4885TSHR 2427/4885
US-20230391778-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ALDH1A1 700/4885KDM4E 4502/4885TSHR 387/4885
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB ALDH1A1 3440/4885KDM4E 856/4885TSHR 2449/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 ALDH1A1 1626/4885KDM4E 1169/4885TSHR 3108/4885
US-20220033395-A1 INDOLIN-2-ONE OR PYRROLO -PYRIDIN -2 -ONE DERIVATIVES GRIN2B, HTR2B, HTR1A ALDH1A1 700/4885KDM4E 4502/4885TSHR 387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.