SCHEMBL4714285

SCHEMBL4714285

Cc1n[nH]c(-c2ccccc2)c1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.54
KCNK3 O14649 2/20 0.53
ADCY1 Q08828 1/20 0.53
MAPT P10636 2/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNK9 Q9NPC2 1/20 0.50
P2RX1 P51575 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
PTGS1 P23219 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4713038 0.89 TP53 (0.48) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL5739759 0.85 MEN1 (0.52) ALDH1A1KCNK3MAPTMEN1RAB9A
SCHEMBL4715305 0.84 F2 (0.54) LMNAMAPTCCNA2CDK2CCNA1
SCHEMBL5739653 0.83 NPC1 (0.56) ALDH1A1GAAMAPTCCNA2CDK2
SCHEMBL4710882 0.81 SMN1; SMN2 (0.73) LMNAALDH1A1KCNK3MAPTCCNA2
SCHEMBL4713719 0.79 KDM4E (0.49) ALDH1A1GAAKCNK3ADCY1MAPT
SCHEMBL5738935 0.78 ADORA3 (0.61) LMNAMAPTCCNA2CDK2CCNA1
SCHEMBL4712235 0.78 LMNA (0.46) LMNAGAAKCNK3KCNK9RXFP1
SCHEMBL5738513 0.78 CCNA2 (0.47) LMNAMAPTCCNA2CDK2CCNA1
SCHEMBL4714403 0.77 F2 (0.51) LMNAALDH1A1GAAKCNK3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1802373-A Pyrazoloisoquinoline derivatives as kinase inhibitors AVENTIS PHARMA INC (US) 2006-07-12 CN 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 LMNA 1662/4885ALDH1A1 3249/4885GAA 1156/4885

“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.