SCHEMBL2379402

SCHEMBL2379402

C=CCNc1ncc(Br)nc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
MTOR P42345 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
HCAR3 P49019 1/20 0.34

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
SCHEMBL20387726 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL2323296 0.73 KDM4E (0.43) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL15001201 0.72 MERTK (0.39)
SCHEMBL24449963 0.71 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL1855199 0.70 HCAR3 (0.46) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL15001195 0.70 ATR (0.35) ALDH1A1L3MBTL1
SCHEMBL15117618 0.70 ATR (0.38) KDM4ERAB9AMAPTTP53TSHR
SCHEMBL15001193 0.70 MAPK8 (0.39) ALDH1A1L3MBTL1
SCHEMBL4797767 0.69 HPGD (0.40) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL20722638 0.69 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EHPGDLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118488947-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2024-08-13 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. 2023-03-30 US disclosed
EP-3990443-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, Inc. (US) 2022-05-04 EP disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US 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 (2 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-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF PDGFRB, PDGFRA, FGFR1 ALDH1A1 2831/4885L3MBTL1 4097/4885KDM4E 2905/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 ALDH1A1 3840/4885L3MBTL1 3474/4885KDM4E 779/4885

“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.