SCHEMBL786266

SCHEMBL786266

Cc1cc(Nc2nc(N3CCC(C)CC3)ncc2N)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
IGF1R P08069 8/20 0.39
PAK1 Q13153 3/20 0.39
PAK4 O96013 2/20 0.39
INSR P06213 1/20 0.38
ROCK2 O75116 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
ROCK1 Q13464 2/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL786532 0.83 IGF1R (0.44) HTR2CHTR2AIGF1RPAK1PAK4
SCHEMBL801995 0.82 PAK1 (0.52) IGF1RPAK1PAK4INSR
SCHEMBL786662 0.82 MAPT (0.40) HTR2CHTR2AIGF1RPAK1PAK4
SCHEMBL802283 0.81 HTR2C (0.40) HTR2CHTR2AIGF1RPAK1PAK4
SCHEMBL786214 0.80 ACHE (0.54) PAK1PAK4ROCK2ACHEROCK1
SCHEMBL786361 0.77 PAK4 (0.65) HTR2CHTR2APAK1PAK4LMNA
SCHEMBL786291 0.70 OGA (0.51) HTR2CLMNAGAAALOX15SMN1; SMN2
SCHEMBL786824 0.67 PAK4 (0.53) HTR2APAK1PAK4LMNAGAA
SCHEMBL802259 0.65 CCR4 (0.59) HTR2APAK1PAK4LMNAGAA
SCHEMBL801630 0.65 IGF1R (0.46) IGF1RPAK1PAK4INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
EP-1317448-B2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 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 (1 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 HTR2C 2651/4885HTR2A 3676/4885IGF1R 293/4885

“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.