SCHEMBL6880429

SCHEMBL6880429

Cc1ccc2ccc(C(=O)O)cc2n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
HCAR3 P49019 1/20 0.45

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
SCHEMBL2224282 0.98 TDP1 (0.58) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL999160 0.87 TDP1 (0.58) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30464299 0.87 TDP1 (0.58) TDP1NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1000350 0.85 TDP1 (0.56) TDP1NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL16621042 0.85 TDP1 (0.56) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9015187 0.85 CYP1A2 (0.53) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL2299003 0.83 CYP1A2 (0.52) MEN1KMT2ACYP1A2KDM4E
Lithium Ion SCHEMBL2224280 0.81 CYP1A2 (0.50) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL9102522 0.81 CYP1A2 (0.68) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9945611 0.80 KDM4E (0.51) TDP1MEN1KMT2ACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed
US-4565872-A 5-CYANOQUINALDINE AND 6-FLUORO DERIVATIVE, MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1986-01-21 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 (2 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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 TDP1 424/4885NPC1 4091/4885RAB9A 3116/4885
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C TDP1 4506/4885NPC1 1879/4885RAB9A 2785/4885

“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.