SCHEMBL426847

SCHEMBL426847

Cc1ccc(-n2c(N)nc3cnc(N)nc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.48
▸ DHFR P00374 1/20 0.46
▸ AKT1 P31749 1/20 0.42
▸ AKT2 P31751 1/20 0.42
▸ ALDH1A1 P00352 10/20 0.38
▸ CYP1A2 P05177 7/20 0.38
▸ CYP3A4 P08684 7/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ CASP1 P29466 4/20 0.38
▸ CASP7 P55210 4/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL25272927 0.85 CYP1A2 (0.45) HCAR1DHFRALDH1A1CYP1A2CYP3A4
SCHEMBL1643374 0.84 DHFR (0.49) DHFRALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL28143388 0.81 ALDH1A1 (0.49) DHFRAKT1AKT2ALDH1A1CYP1A2
SCHEMBL28281841 0.80 DHFR (0.49) DHFRXDHPIK3CA
SCHEMBL25422454 0.79 MAPT (0.44) DHFRALDH1A1HSD17B10USP2KDM4E
SCHEMBL426848 0.77 HCAR1 (0.49) HCAR1ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL25275632 0.77 ALDH1A1 (0.47) DHFRALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL4978113 0.76 XDH (0.48) HCAR1DHFRALDH1A1HSD17B10KDM4E
SCHEMBL2195290 0.76 HCAR1 (0.50) HCAR1AKT1AKT2ALDH1A1CYP1A2
SCHEMBL16013034 0.74 PIK3CD (0.34) ALDH1A1KDM4EMAPTPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 — — US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 — — US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — 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 (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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 HCAR1 983/4885DHFR 379/4885AKT1 2110/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 HCAR1 1419/4885DHFR 2877/4885AKT1 1549/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HCAR1 1419/4885DHFR 2877/4885AKT1 1549/4885

“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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