SCHEMBL4097226

SCHEMBL4097226

O=c1c(-c2ccccc2Cl)cc2cnc(NC3CC4CCCC(C3)N4Cc3ccccc3)nc2n1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
MAPK14 Q16539 1/20 0.52
CCND1 P24385 12/20 0.47
CDK2 P24941 11/20 0.47
CCNE1 P24864 10/20 0.47
CDK6 Q00534 10/20 0.47
CDK4 P11802 5/20 0.47
CCNT1 O60563 4/20 0.47
CDK9 P50750 4/20 0.47
CCND3 P30281 1/20 0.47
FGFR1 P11362 1/20 0.45
TNK2 Q07912 2/20 0.44
CCNA2 P20248 1/20 0.44
ABL1 P00519 1/20 0.44
PAK1 Q13153 1/20 0.42
ROCK2 O75116 1/20 0.41
ARHGDIA P52565 1/20 0.41
ROCK1 Q13464 1/20 0.41
SIK1 P57059 1/20 0.41
SIK2 Q9H0K1 1/20 0.41

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
SCHEMBL13849294 0.97 LCK (0.54) LCKMAPK14CCND1CDK2CCNE1
SCHEMBL4084207 0.90 MAPK14 (0.66) LCKMAPK14FGFR1TNK2ABL1
SCHEMBL4090983 0.88 MAPK14 (0.68) LCKMAPK14FGFR1ABL1PAK1
SCHEMBL4089659 0.86 MAPK14 (0.49) LCKMAPK14FGFR1TNK2ABL1
SCHEMBL4084520 0.85 MAPK14 (0.49) LCKMAPK14FGFR1TNK2ABL1
SCHEMBL4084379 0.85 LCK (0.56) LCKMAPK14CCND1CDK2CCNE1
SCHEMBL4084454 0.81 LCK (0.49) LCKMAPK14CCND1CDK2CCNE1
SCHEMBL4084813 0.81 ROCK2 (0.48) LCKMAPK14FGFR1ROCK2ARHGDIA
SCHEMBL6342527 0.81 MAPK14 (0.61) LCKMAPK14CCND1CDK2CCNE1
SCHEMBL4090690 0.80 LCK (0.51) LCKMAPK14CCND1CDK2CCNE1

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-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US claimed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 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 (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-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 LCK 568/4885MAPK14 3185/4885CCND1 905/4885

“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.