SCHEMBL600413

SCHEMBL600413

CC1CCCN1c1nncc2cc(Nc3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
JAK3 P52333 3/20 0.40
LCK P06239 1/20 0.39
CYP3A4 P08684 7/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 10/20 0.38
KIT P10721 2/20 0.37
PDGFRB P09619 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL600658 0.81 MAPK14 (0.43) GRM4JAK3LCKMAPK14MAPK9
SCHEMBL599751 0.79 LMNA (0.42) LMNAKMT2AJAK3CYP3A4ALDH1A1
SCHEMBL2946490 0.75 MTOR (0.43) LMNAKMT2AJAK3CYP3A4ALDH1A1
SCHEMBL2946488 0.75 MTOR (0.43) LMNAKMT2AJAK3CYP3A4ALDH1A1
SCHEMBL2948210 0.75 JAK3 (0.43) GRM4LMNAKMT2AJAK3CYP3A4
SCHEMBL2948212 0.75 JAK3 (0.43) GRM4LMNAKMT2AJAK3CYP3A4
SCHEMBL600573 0.74 LMNA (0.53) LMNAKMT2ALCKALDH1A1MAPT
SCHEMBL11987723 0.67 LMNA (0.36) LMNAKMT2AJAK3CYP3A4ALDH1A1
SCHEMBL601354 0.65 MAPK14 (0.47) LMNAKMT2ALCKCYP3A4ALDH1A1
SCHEMBL28462412 0.64 SYK (0.39) LMNACYP3A4ALDH1A1MAPTUSP2

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 GRM4 925/4885LMNA 4011/4885KMT2A 2665/4885

“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.