SCHEMBL3171008

SCHEMBL3171008

CNC(=O)c1cc(=O)cc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.52
▸ CDK8 P49336 2/20 0.47
▸ CCNC P24863 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ DOT1L Q8TEK3 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ CTSA P10619 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL29044976 0.82 CTSA (0.43) CREBBPCTSAALOX15KDM4EHDAC8
SCHEMBL25782683 0.79 ALOX15 (0.44) CDK8KMT2ACTSAALOX15KDM4E
SCHEMBL24019668 0.79 CTSA (0.49) KMT2ACTSAALOX15KDM4ESMN1; SMN2
SCHEMBL888653 0.75 — —
SCHEMBL25802049 0.74 CTSA (0.48) NPC1KMT2ACTSAHTTSMN1; SMN2
SCHEMBL18473861 0.74 SMN1; SMN2 (0.56) NPC1KMT2ACTSAALOX15KDM4E
SCHEMBL28029054 0.73 — —
SCHEMBL338568 0.72 CCNC (0.43) CDK8CCNCKMT2ACTSAALOX15
Hydrochloric Acid SCHEMBL30564912 0.72 SMN1; SMN2 (0.54) NPC1KMT2ACTSAALOX15KDM4E
Hydrochloric Acid SCHEMBL10721520 0.71 CTSA (0.38) KMT2ACTSAALOX15SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 — — WO disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — US disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 — — US disclosed
US-20050261253-A1 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. 2005-11-24 — — 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 (4 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-20050261253-A1 Kinase inhibitory phosphonate analogs PIK3CA, PNKP, PIK3CB CREBBP 733/4885CDK8 182/4885CCNC 649/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN CREBBP 399/4885CDK8 170/4885CCNC 235/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB CREBBP 733/4885CDK8 182/4885CCNC 649/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN CREBBP 399/4885CDK8 170/4885CCNC 235/4885

“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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