SCHEMBL4787013

SCHEMBL4787013

c1cc2c(c(Nc3ncnc4[nH]ccc34)c1)CCC2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
TTBK1 Q5TCY1 10/20 0.57
TTBK2 Q6IQ55 10/20 0.57
AKT1 P31749 2/20 0.53
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
HPGDS O60760 1/20 0.49
TNNI3K Q59H18 1/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
SYK P43405 1/20 0.43

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
Hydrochloric Acid SCHEMBL8929628 0.99 EGFR (0.58) EGFRTTBK1TTBK2AKT1AURKA
SCHEMBL8929386 0.97 EGFR (0.62) EGFRTTBK1TTBK2AKT1AURKA
SCHEMBL8929866 0.81 EGFR (0.51) EGFRTTBK1TTBK2AKT1AURKA
Hydrochloric Acid SCHEMBL8929855 0.81 EGFR (0.50) EGFRTTBK1TTBK2AKT1AURKA
SCHEMBL27460612 0.75 TTBK1 (0.69) EGFRTTBK1TTBK2AKT1AURKA
SCHEMBL8929392 0.74 EGFR (0.58) EGFRTTBK1TTBK2AURKAAURKB
SCHEMBL8929209 0.74 EGFR (0.63) EGFRTTBK1TTBK2AURKAAURKB
Hydrochloric Acid SCHEMBL8929775 0.73 EGFR (0.57) EGFRTTBK1TTBK2AURKAAURKB
Hydrochloric Acid SCHEMBL8928980 0.73 EGFR (0.62) EGFRTTBK1TTBK2AURKAAURKB
SCHEMBL14467210 0.72 EGFR (0.54) EGFR

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
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
EP-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
EP-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 EGFR 1259/4885TTBK1 2062/4885TTBK2 1479/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL EGFR 2964/4885TTBK1 2633/4885TTBK2 2900/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885TTBK1 2093/4885TTBK2 1786/4885

“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.