SCHEMBL426848

SCHEMBL426848

Cc1ccccc1-n1c(N)nc2cnc(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 4/20 0.49
▸ TSHR P16473 1/20 0.42
▸ EPHB4 P54760 2/20 0.41
▸ LCK P06239 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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 0.78 CYP1A2 (0.45) HCAR1TSHRALDH1A1LMNAPI4KA
SCHEMBL426847 0.77 HCAR1 (0.48) HCAR1TSHRALDH1A1L3MBTL1CYP1A2
SCHEMBL2194828 0.77 HCAR1 (0.52) HCAR1TSHREPHB4ALDH1A1LMNA
SCHEMBL27745688 0.77 PI4KA (0.52) HCAR1TSHREPHB4LCKKDR
SCHEMBL1643374 0.74 DHFR (0.49) TSHRALDH1A1HTTCYP1A2CYP3A4
SCHEMBL5673255 0.70 ADORA2A (0.47) HCAR1TSHREPHB4ALDH1A1LMNA
SCHEMBL28143388 0.69 ALDH1A1 (0.49) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL28281841 0.68 DHFR (0.49) LCKKDRPI4KA
SCHEMBL25422454 0.67 MAPT (0.44) ALDH1A1LMNAL3MBTL1HTTHSD17B10
SCHEMBL28280597 0.66 DHFR (0.52) LCKPI4KBCYP1A2CYP3A4CYP2C19

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 983/4885TSHR 4463/4885EPHB4 2078/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 HCAR1 1419/4885TSHR 965/4885EPHB4 1057/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HCAR1 1419/4885TSHR 965/4885EPHB4 1057/4885

“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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