SCHEMBL15565637

SCHEMBL15565637

CSc1ncc2c(C)nccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HASPIN Q8TF76 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NTRK1 P04629 1/20 0.34
RPS6KA5 O75582 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15564864 0.81 MEN1 (0.42) MEN1KMT2AHASPINKDM4ELMNA
SCHEMBL31235431 0.81 HASPIN (0.42) MEN1KMT2AHASPINKDM4ELMNA
SCHEMBL16677113 0.79 CYP2A6 (0.47) CYP2A6MEN1KMT2APDE3BPDE3A
SCHEMBL30702845 0.78 MAPT (0.41) MEN1KMT2AHASPINKDM4ELMNA
SCHEMBL15564739 0.77 MEN1 (0.35) MEN1KMT2AHASPINKDM4ELMNA
SCHEMBL15566244 0.77 MEN1 (0.38) MEN1KMT2AHASPINKDM4ELMNA
SCHEMBL30887769 0.76 KDM4E (0.35) MEN1KMT2AHASPINKDM4ELMNA
SCHEMBL21572095 0.73 HASPIN (0.44) CYP2A6MEN1KMT2AHASPINLMNA
SCHEMBL10078327 0.71 CYP2A6 (0.47) CYP2A6PDE3BPDE3AKDM4ELMNA
SCHEMBL31235191 0.70 EGFR (0.53) KDM4ELMNAHTTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024012519-A1 PAN-KRAS INHIBITOR 北京华森英诺生物科技有限公司 2024-01-18 WO disclosed
WO-2022079250-A1 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS MERCK PATENT GMBH (DE) 2022-04-21 WO disclosed
WO-2022079250-A1 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS MERCK PATENT GMBH (DE) 2022-04-21 WO disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
EP-2882746-B1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-12-07 EP disclosed
EP-2882746-B1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-12-07 EP disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
EP-2882746-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Merck Patent GmbH (DE) 2015-06-17 EP disclosed
WO-2014023385-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
WO-2014023385-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-02-13 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 (1 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-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS SYK, LYN, IRAK1 CYP2A6 3705/4885MEN1 3254/4885KMT2A 1680/4885

“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.