SCHEMBL3579269

SCHEMBL3579269

CN1CCN(CCCNc2ccc(NC=C3C(=O)Nc4cc(C(=O)c5cccc(N)c5)ccc43)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
FGFR1 P11362 5/20 0.37
SRC P12931 2/20 0.37
NTRK1 P04629 3/20 0.36
CHEK1 O14757 2/20 0.36
RET P07949 1/20 0.36
KDR P35968 3/20 0.36
PDGFRB P09619 1/20 0.36
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
RAD52 P43351 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
PDPK1 O15530 1/20 0.35
AKT2 P31751 1/20 0.35
PIM1 P11309 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
SCHEMBL3579266 0.93 HTR7 (0.45) HTR7FGFR1SRCNTRK1CHEK1
SCHEMBL3575052 0.89 PIM1 (0.41) FGFR1CHEK1KDRPDGFRBKMT2A
SCHEMBL3567940 0.87 AKT2 (0.42) FGFR1CHEK1KDRPDGFRBKMT2A
SCHEMBL3583080 0.85 CSF1R (0.47) NTRK1KMT2ANTRK3NTRK2PIM1
SCHEMBL4758295 0.83 KDR (0.43) FGFR1SRCNTRK1RETKDR
SCHEMBL3567211 0.82 CHEK1 (0.38) CHEK1KDRPDGFRBPDPK1AKT2
SCHEMBL3571538 0.82 KDM4E (0.47)
SCHEMBL4995214 0.81 TGM2 (0.44) FGFR1SRCCHEK1RETKDR
SCHEMBL4995219 0.81 TGM2 (0.44) FGFR1SRCCHEK1RETKDR
SCHEMBL3575048 0.81 PDPK1 (0.43) HTR7CHEK1KDRPDGFRBKMT2A

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
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HTR7 2259/4885FGFR1 252/4885SRC 19/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 HTR7 3329/4885FGFR1 171/4885SRC 4/4885

“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.