SCHEMBL2033116

SCHEMBL2033116

Nc1ccc(-n2cccn2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NLRP3 Q96P20 3/20 0.42
AVPR2 P30518 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.41
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.40
CAPN1 P07384 1/20 0.40
PDK2 Q15119 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL11337325 0.84 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EAVPR2
SCHEMBL5337022 0.84 NOTUM (0.53) NOTUMALDH1A1MAPK1KDM4ENLRP3
SCHEMBL1353718 0.79 NOTUM (0.49) NOTUMALDH1A1MAPK1KDM4ENLRP3
SCHEMBL11490195 0.79 MAPT (0.60) NOTUMALDH1A1MAPK1KDM4EAVPR2
SCHEMBL19260143 0.79 KDM4E (0.50) NOTUMALDH1A1MAPK1KDM4ENLRP3
SCHEMBL2191239 0.79 NOTUM (0.49) NOTUMALDH1A1MAPK1KDM4ENLRP3
SCHEMBL26921977 0.79 NOTUM (0.58) NOTUMALDH1A1MAPK1KDM4ENLRP3
SCHEMBL12989100 0.79 NOTUM (0.58) NOTUMALDH1A1MAPK1KDM4EAVPR2
SCHEMBL29691050 0.79 NOTUM (0.53) NOTUMALDH1A1MAPK1KDM4ENLRP3
SCHEMBL18865832 0.79 NOTUM (0.53) NOTUMALDH1A1MAPK1KDM4ENLRP3

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-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 WO disclosed
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-01-25 EP disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
CN-105051033-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-11 CN disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 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 (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-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CDK2, CKS2, CSNK2A1 NOTUM 4128/4885ALDH1A1 3980/4885MAPK1 306/4885

“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.