SCHEMBL20176871

SCHEMBL20176871

Cc1ccc(Oc2ccncc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
BCAT2 O15382 1/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAP4K4 O95819 1/20 0.38
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
P2RX3 P56373 4/20 0.33
BRAF P15056 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10134383 0.82 MEN1 (0.83) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL753331 0.82 BCAT2 (0.60) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL4797268 0.78 MEN1 (0.59) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL753246 0.78 MEN1 (0.59) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL4797272 0.78 MEN1 (0.59) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL851116 0.78 MEN1 (0.59) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL20176868 0.78 LMNA (0.50) MEN1KMT2ABCAT2SMN1; SMN2RAB9A
SCHEMBL8736571 0.76 MEN1 (0.55) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL4050755 0.74 MEN1 (0.53) MEN1KMT2ABCAT2TSHRSMN1; SMN2
SCHEMBL4820745 0.72 MEN1 (0.50) MEN1KMT2ABCAT2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2024-05-30 US disclosed
CN-114907338-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-06 CN disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
CN-114907338-A Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-08-16 CN disclosed
WO-2022166642-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京志健金瑞生物医药科技有限公司 2022-08-11 WO disclosed
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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 (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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 MEN1 3821/4885KMT2A 1689/4885BCAT2 1004/4885
US-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF RET, WEE1, JAK2 MEN1 211/4885KMT2A 2971/4885BCAT2 298/4885

“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.