SCHEMBL3465039

SCHEMBL3465039

Cc1ccnc(C#N)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ELANE P08246 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ P4HTM Q9NXG6 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL1564122 0.81 PLCG1 (0.44) PLCG1ALDH1A1HPGDKDM4EKDM4C
SCHEMBL9684174 0.77 KDM4E (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL30049082 0.77 KDM4E (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL28582520 0.76 KDM4E (0.48) ALDH1A1LMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL28371872 0.75 KDM4E (0.41) PLCG1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL353204 0.75 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL6578250 0.74 KDM4E (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL26845080 0.73 NOS2 (0.33) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL29741053 0.73 KDM4E (0.40) PLCG1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL10766873 0.73 CYP3A4 (0.39) ALDH1A1LMNASMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683194-A (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones as inhibitors of fibrinolysis 拜耳制药股份公司 2016-06-15 — — CN disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 — — EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 — — EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 — — US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 — — US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 — — WO 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 (3 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 PLCG1 3622/4885ALDH1A1 951/4885LMNA 4351/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 PLCG1 3622/4885ALDH1A1 951/4885LMNA 4351/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 PLCG1 3622/4885ALDH1A1 951/4885LMNA 4351/4885

“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.

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