SCHEMBL4999545

SCHEMBL4999545

CN1CCN(c2ccc(N/C=C3/C(=O)Nc4cc(F)ccc43)cc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.50
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CCNA1 P78396 5/20 0.44
TGM2 P21980 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
WDR5 P61964 1/20 0.40
NTRK2 Q16620 2/20 0.39
PIM1 P11309 2/20 0.39
CDK4 P11802 2/20 0.39
CCND3 P30281 2/20 0.39
GSK3B P49841 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CSF1R P07333 1/20 0.38
AURKA O14965 1/20 0.38
CCNK O75909 1/20 0.38
SLC2A1 P11166 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL4999547 1.00 NTRK1 (0.50) NTRK1CCNA2CDK2CCNA1TGM2
SCHEMBL4991648 0.93 NTRK1 (0.45) NTRK1CCNA2CDK2CCNA1MEN1
SCHEMBL4991655 0.93 NTRK1 (0.45) NTRK1CCNA2CDK2CCNA1MEN1
SCHEMBL4987776 0.92 TGM2 (0.42) NTRK1TGM2CSF1R
SCHEMBL4994518 0.91 NTRK1 (0.44) NTRK1CCNA2CDK2CCNA1MEN1
SCHEMBL4994515 0.91 NTRK1 (0.44) NTRK1CCNA2CDK2CCNA1MEN1
SCHEMBL4999380 0.89 TGM2 (0.47) NTRK1TGM2CSF1RMTOR
SCHEMBL4999377 0.89 TGM2 (0.47) NTRK1TGM2CSF1RMTOR
SCHEMBL4995391 0.89 AURKB (0.43) NTRK1TGM2PDE3BPDE3ACSF1R
SCHEMBL4995382 0.89 AURKB (0.43) NTRK1TGM2PDE3BPDE3ACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-7098236-B2 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 US disclosed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 US disclosed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US disclosed
US-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2005-10-13 US disclosed
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ANDREWS STEVEN W (US) 2004-10-07 US disclosed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US disclosed
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 US disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 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 (7 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-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNA2 361/4885CDK2 3/4885

“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.