SCHEMBL4714864

SCHEMBL4714864

Cc1n[nH]c2c1nc(-c1ccccc1Cl)c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.47
PTGES O14684 2/20 0.44
KMT2A Q03164 3/20 0.41
DCUN1D1 Q96GG9 1/20 0.40
POLB P06746 1/20 0.39
CHEK1 O14757 1/20 0.37
FLT3 P36888 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL5739590 0.87 ADORA2A (0.45) KMT2ADCUN1D1GAANPC1RAB9A
SCHEMBL5738501 0.87 CRHR1 (0.51) CRHR1GAAALDH1A1HPGDMAPT
SCHEMBL5738740 0.86 CHEK1 (0.41) PTGESCHEK1FLT3PLK3ALDH1A1
SCHEMBL5738829 0.84 DHODH (0.39) CRHR1PTGESKMT2ANPC1RAB9A
SCHEMBL5248567 0.83 KMT2A (0.44) KMT2ADCUN1D1POLBMGAMGAA
SCHEMBL5739520 0.83 DCUN1D1 (0.40) KMT2ADCUN1D1NR1H2NR1H3GAA
SCHEMBL5738617 0.83 ADORA2A (0.42) DCUN1D1MGAMGAASIMGAM2
SCHEMBL5249619 0.81 ADORA2A (0.47) KMT2ADCUN1D1GAASMN1; SMN2ALDH1A1
SCHEMBL5739946 0.80 CRHR1 (0.47) CRHR1KMT2APOLBNR1H2NR1H3
SCHEMBL5738676 0.80 IDO1 (0.52) PTGESPOLBRAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP claimed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO claimed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US claimed
EP-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 EP disclosed
US-7132428-B2 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 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-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 CRHR1 3365/4885PTGES 1140/4885KMT2A 1552/4885

“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.