SCHEMBL599751

SCHEMBL599751

CC1CCCN1c1nncc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 1/20 0.42
JAK3 P52333 2/20 0.41
MAPK14 Q16539 12/20 0.40
CYP3A4 P08684 7/20 0.40
KIT P10721 2/20 0.39
PDGFRB P09619 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK11 Q15759 1/20 0.39
KDR P35968 1/20 0.38
MAPK9 P45984 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMPD3 Q9NY59 1/20 0.35
PBRM1 Q86U86 1/20 0.35

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
SCHEMBL2948212 0.96 JAK3 (0.43) LMNAKMT2AJAK3MAPK14CYP3A4
SCHEMBL2948210 0.96 JAK3 (0.43) LMNAKMT2AJAK3MAPK14CYP3A4
SCHEMBL2953248 0.81 MAPK14 (0.59) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2953253 0.81 MAPK14 (0.59) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2946490 0.81 MTOR (0.43) LMNAKMT2AJAK3MAPK14CYP3A4
SCHEMBL2946488 0.81 MTOR (0.43) LMNAKMT2AJAK3MAPK14CYP3A4
SCHEMBL600413 0.79 GRM4 (0.45) LMNAKMT2AJAK3MAPK14CYP3A4
SCHEMBL2948139 0.78 MAPK14 (0.43) LMNAKMT2AMAPK14CYP3A4KIT
SCHEMBL2947965 0.75 HPGD (0.46) LMNAKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL2946589 0.75 BCL2A1 (0.36) LMNAKMT2AMAPK14CYP3A4KIT

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-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 LMNA 4011/4885KMT2A 2665/4885JAK3 339/4885

“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.