SCHEMBL1279082

SCHEMBL1279082

CCOC(=O)c1cccc(-c2cnc(Cl)c(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
ITK Q08881 1/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL28876886 0.82 SYK (0.52) BTKITKHPGDTP53POLB
SCHEMBL1280043 0.81 KMT2A (0.46) BTKITKPOLBNPC1RAB9A
SCHEMBL8276630 0.80 CYP2C9 (0.50) NPC1ALDH1A1
SCHEMBL29617015 0.80 TP53 (0.62) HPGDTP53POLBNPC1RAB9A
SCHEMBL1279515 0.79 LMNA (0.51) HPGDTP53POLBNPC1RAB9A
SCHEMBL4193217 0.78 TP53 (0.61) HPGDTP53POLB
SCHEMBL3731320 0.77 SMN1; SMN2 (0.60) HPGDTP53POLBSMN1; SMN2ALDH1A1
SCHEMBL4890571 0.77 SYK (0.53) HPGDTP53POLBNPC1RAB9A
SCHEMBL1279177 0.77 KMT2A (0.46) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL12812376 0.76 CYP1A2 (0.54) HPGDTP53POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
CN-102480966-A Fused heterocyclic compounds and uses thereof NOVARTIS AG 2012-05-30 CN disclosed
EP-2440058-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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 (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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD BTK 1555/4885ITK 3426/4885HPGD 186/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT BTK 1463/4885ITK 2810/4885HPGD 803/4885

“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.