SCHEMBL4742212

SCHEMBL4742212

Fc1ccc(Nc2ncnc3[nH]ccc23)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 11/20 0.70
TTBK2 Q6IQ55 10/20 0.70
EGFR P00533 8/20 0.68
GRM1 Q13255 1/20 0.60
AURKA O14965 2/20 0.56
AURKB Q96GD4 2/20 0.56
INCENP Q9NQS7 1/20 0.56
ERBB2 P04626 1/20 0.56
INSR P06213 1/20 0.56
FBP1 P09467 1/20 0.56
PDGFRB P09619 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
CLK1 P49759 1/20 0.56
EPHB4 P54760 1/20 0.56
TEK Q02763 1/20 0.56

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
SCHEMBL26784714 0.84 EGFR (0.68) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL4739565 0.81 TTBK1 (0.67) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL4738813 0.81 TTBK1 (1.00) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL13402698 0.80 EGFR (0.62) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL13402694 0.80 EGFR (0.62) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL4787062 0.80 TTBK1 (0.63) TTBK1TTBK2EGFRAURKAAURKB
Hydrochloric Acid SCHEMBL7018010 0.80 TTBK1 (0.97) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL4913022 0.78 EGFR (0.56) EGFRGRM1AURKAAURKBERBB2
SCHEMBL4741057 0.78 TTBK1 (0.71) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL28403915 0.78 EGFR (0.74) EGFRGRM1AURKAAURKBERBB2

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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
EP-1244672-B1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2005-07-20 EP disclosed
US-6908930-B2 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. (US) 2005-06-21 US disclosed
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2004-03-18 US disclosed
US-6610688-B2 For therapy of blood vessel proliferative disorders; fibrotic disorders; mesangial cell proliferative disorders; metabolic disorders; allergies; asthma; thrombosis; nervous system diseases; and cancer SUGEN, INC. 2003-08-26 US disclosed
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-05 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-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CSNK1A1, CDK2 TTBK1 466/4885TTBK2 462/4885EGFR 295/4885
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CDK7, CDK2 TTBK1 514/4885TTBK2 383/4885EGFR 100/4885
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 TTBK1 2062/4885TTBK2 1479/4885EGFR 1259/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG TTBK1 2093/4885TTBK2 1786/4885EGFR 3860/4885

“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.