SCHEMBL9844700

SCHEMBL9844700

O=C1CCc2cc3ccc(F)cc3n21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
SRD5A1 P18405 1/20 0.34
DAO P14920 1/20 0.33
PER2 O15055 8/20 0.33
CRY2 Q49AN0 4/20 0.33
PLA2G10 O15496 1/20 0.32
ATM Q13315 1/20 0.32
AHR P35869 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
MAT2A P31153 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2C P28335 2/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL9735956 0.79 NOTUM (0.62) NOTUMSRD5A1DAOMAT2AHSD17B10
SCHEMBL13279354 0.77 NOTUM (0.39) NOTUMSRD5A1DAOATMAHR
SCHEMBL30615209 0.77 NOTUM (1.00) NOTUMDAOHTR2CHTR2A
SCHEMBL9259627 0.77 NOTUM (1.00) NOTUMDAOHTR2CHTR2A
SCHEMBL9736291 0.76 NOTUM (0.57) NOTUMSRD5A1DAOPLA2G10CYP1A2
SCHEMBL9264812 0.76 NOTUM (0.57) NOTUMCYP1A2CYP2A6HSD17B10HTR2C
SCHEMBL9844699 0.72 NOTUM (0.53) NOTUMCYP1A2MAT2AHSD17B10
SCHEMBL28362608 0.68 TFPI2 (0.35) DAOPER2PLA2G10HSD17B10
SCHEMBL9287309 0.68 NOTUM (0.51) NOTUM
SCHEMBL5775060 0.68 NOTUM (0.44) NOTUM

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
CN-107973791-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 南京圣和药业股份有限公司 2020-04-07 CN disclosed
CN-107614503-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2020-03-10 CN disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-12-13 US disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 EP disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP 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-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR EGFR, ERBB2, ERBB4 NOTUM 3245/4885SRD5A1 2569/4885DAO 988/4885

“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.