SCHEMBL16319700

SCHEMBL16319700

CCOc1cc(Nc2cc(C)nc(Nc3ccc(NC(=S)Nc4ccc(Cl)c(C(F)(F)F)c4)nc3)n2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
RAF1 P04049 2/20 0.41
MAPK3 P27361 2/20 0.41
BRAF P15056 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 7/20 0.36
FLT3 P36888 2/20 0.36
KIT P10721 1/20 0.36
EGFR P00533 3/20 0.36
GAA P10253 1/20 0.36
MPI P34949 1/20 0.36
RAB9A P51151 1/20 0.36
TEK Q02763 1/20 0.35
CDK8 P49336 2/20 0.35
CCNC P24863 1/20 0.35
PDPK1 O15530 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL16319837 0.92 KDR (0.42) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16319517 0.91 KDR (0.45) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16319556 0.90 LMNA (0.42) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16319661 0.90 BRAF (0.40) LMNARAF1MAPK3BRAFKDR
SCHEMBL16320437 0.89 LMNA (0.43) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16320080 0.88 RAB9A (0.42) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16320251 0.88 LMNA (0.41) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16320148 0.88 BRAF (0.41) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16320294 0.88 LMNA (0.41) LMNARAF1MAPK3BRAFALDH1A1
SCHEMBL16319952 0.88 LMNA (0.40) LMNARAF1MAPK3BRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221798-B2 4-substituted-(3-substituted-1H-pyrazole-5-amino)-pyrimidine derivatives having activity of inhibiting protein kinase and use thereof Zhejian Hisun Pharmaceutical Co., Ltd. (CN) 2015-12-29 US disclosed
US-20140378488-A1 4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-12-25 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-20140378488-A1 4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF MAP4K2, MAP4K1, MAP4K3 LMNA 3831/4885RAF1 53/4885MAPK3 60/4885

“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.