SCHEMBL3333893

SCHEMBL3333893

O=C(Nc1ccccc1Nc1nc(Cl)ncc1F)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
AURKA O14965 7/20 0.46
AURKB Q96GD4 4/20 0.46
JAK2 O60674 2/20 0.46
ACVRL1 P37023 1/20 0.46
ALK Q9UM73 2/20 0.45
EGFR P00533 1/20 0.45
ROS1 P08922 1/20 0.45
CDK2 P24941 1/20 0.42
CDC7 O00311 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK3 P27361 1/20 0.42
ABL1 P00519 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TP53 P04637 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
SCHEMBL3333738 0.88 EGFR (0.56) ACVRL1ALKEGFRROS1MAPK3
SCHEMBL16370812 0.80 MAPK3 (0.55) EGFRMAPK3
SCHEMBL13300703 0.79 SYK (0.59) AURKAAURKBJAK2ALKROS1
SCHEMBL13300712 0.79 AURKA (0.72) AURKAAURKBJAK2ALKEGFR
SCHEMBL23830981 0.78 KMT2A (0.57) KMT2AABL1NPC1RAB9A
SCHEMBL23830536 0.78 KMT2A (0.54) KMT2AABL1NPC1RAB9A
SCHEMBL15492039 0.78 AURKA (0.68) KMT2AAURKAAURKBJAK2ROS1
SCHEMBL13300707 0.77 CDK2 (0.53) AURKAAURKBJAK2ALKEGFR
SCHEMBL13300706 0.77 SYK (0.60) AURKAAURKBJAK2ALKEGFR
SCHEMBL13300708 0.76 AURKA (0.56) AURKAAURKBJAK2ALKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
EP-2099771-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2009-09-16 EP disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
EP-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 EP disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 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 (2 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-20080318989-A1 Pyrimidine Kinase Inhibitors DCK, DTYMK, TK1 KMT2A 1017/4885AURKA 20/4885AURKB 14/4885
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP KMT2A 900/4885AURKA 18/4885AURKB 17/4885

“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.