SCHEMBL3333738

SCHEMBL3333738

O=C(Nc1ccccc1Nc1nc(Cl)ncc1Cl)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
ROS1 P08922 1/20 0.56
ALK Q9UM73 1/20 0.56
MAPK3 P27361 12/20 0.53
MAPK1 P28482 3/20 0.51
ACVRL1 P37023 1/20 0.50
ABL1 P00519 2/20 0.46
MAP3K7 O43318 1/20 0.44
ULK1 O75385 1/20 0.44

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
SCHEMBL3333893 0.88 KMT2A (0.46) EGFRROS1ALKMAPK3ACVRL1
SCHEMBL3335414 0.87 KMT2A (0.51) EGFRROS1ALKMAPK3ACVRL1
SCHEMBL13300591 0.85 EGFR (0.64) EGFRROS1ALKMAPK3MAPK1
SCHEMBL13300654 0.84 EGFR (0.68) EGFRROS1ALKMAPK3MAPK1
SCHEMBL13300648 0.82 EGFR (0.63) EGFRROS1ALKMAPK3MAPK1
SCHEMBL25004486 0.82 ROS1 (0.52) EGFRROS1ALKMAPK3MAPK1
SCHEMBL29904740 0.82 ROS1 (0.52) EGFRROS1ALKMAPK3MAPK1
SCHEMBL13300621 0.81 MAPK9 (0.65) EGFRROS1ALKMAPK3MAPK1
SCHEMBL13300617 0.81 EGFR (0.62) EGFRROS1ALKMAPK3MAPK1
SCHEMBL13300615 0.81 EGFR (0.71) EGFRROS1ALKMAPK3MAPK1

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 11 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
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 EGFR 762/4885ROS1 274/4885ALK 465/4885
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP EGFR 1008/4885ROS1 257/4885ALK 415/4885

“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.