SCHEMBL599348

SCHEMBL599348

Cc1noc(C)c1-c1nncc2cc(Nc3ccc(F)cc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.57
CYP1A2 P05177 6/20 0.49
CYP2C19 P33261 5/20 0.49
LMNA P02545 5/20 0.49
HSD17B10 Q99714 4/20 0.49
USP2 O75604 3/20 0.49
ALOX15 P16050 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
APEX1 P27695 1/20 0.49
CYP3A4 P08684 5/20 0.48
CLK4 Q9HAZ1 3/20 0.48
TSHR P16473 1/20 0.48
CYP2D6 P10635 2/20 0.46
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 0.46
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL599677 0.76 MAPK14 (0.54) MAPK14EGFRKDRSMN1; SMN2
SCHEMBL599476 0.76 MAPK14 (0.56) MAPK14CYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL600022 0.74 GRM4 (0.43) MAPK14EGFRKDR
SCHEMBL2671348 0.72 MAPK14 (1.00) MAPK14CYP1A2CYP2C19LMNAHSD17B10
SCHEMBL599999 0.71 MAPK14 (0.49) MAPK14HSD17B10ALDH1A1CYP3A4EGFR
SCHEMBL600299 0.71 KDR (0.49) MAPK14ALDH1A1MEN1KMT2AEGFR
SCHEMBL599340 0.71 EGFR (0.49) MAPK14ALDH1A1MEN1KMT2AEGFR
SCHEMBL600366 0.71 KDR (0.47) MAPK14CYP1A2CYP2C19LMNAUSP2
SCHEMBL599512 0.70 MAPK14 (0.48) MAPK14
SCHEMBL599489 0.70 MAPK14 (0.74) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497269-B2 Phthalazine compounds as p38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2013-07-30 US claimed
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-02-16 US claimed
WO-2010042649-A2 PHTHALAZINE COMPOUNDS AS p38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 WO claimed
US-8497269-B2 Phthalazine compounds as p38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2013-07-30 US disclosed
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-02-16 US disclosed
WO-2010042649-A2 PHTHALAZINE COMPOUNDS AS p38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 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 (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-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof MAPK1, MAPK4, MAPK12 MAPK14 26/4885CYP1A2 1334/4885CYP2C19 3297/4885

“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.