SCHEMBL2776752

SCHEMBL2776752

CN1CCN(c2ccc(NC(=O)N3CCc4cc(Oc5cc(Cl)ncn5)ccc43)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
FGFR1 P11362 1/20 0.45
HTR2C P28335 15/20 0.45
HTR2B P41595 12/20 0.45
HTR2A P28223 11/20 0.45
CYP1A2 P05177 3/20 0.45
PIM1 P11309 1/20 0.44
CDK4 P11802 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
MTOR P42345 1/20 0.44
GSK3B P49841 1/20 0.44
CCNA1 P78396 1/20 0.44
CYP2C9 P11712 1/20 0.43
HTR6 P50406 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2782677 0.92 HTR2C (0.42) KDRFGFR1HTR2CHTR2BHTR2A
SCHEMBL2782680 0.92 HTR2C (0.42) KDRFGFR1HTR2CHTR2BHTR2A
SCHEMBL2776954 0.91 KDR (0.51) KDRFGFR1HTR2CHTR2BHTR2A
SCHEMBL2777572 0.91 KDR (0.43) KDRFGFR1HTR2CHTR2BHTR2A
SCHEMBL12972365 0.90 KDR (0.48) KDRFGFR1HTR2CHTR2BHTR2A
SCHEMBL2777199 0.88 SRC (0.54) KDRFGFR1CDK4CDK2
SCHEMBL2778347 0.88 KDR (0.42) KDRHTR2CHTR2BHTR2ACYP1A2
SCHEMBL2776511 0.86 KDR (0.54) KDRFGFR1HTR2CHTR2BHTR2A
SCHEMBL2777281 0.86 AR (0.46) KDRHTR2CHTR2BHTR2ACYP1A2
SCHEMBL2777610 0.86 HTR2C (0.44) HTR2CHTR2BHTR2ACYP1A2CYP2C9

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-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF KDR 479/4885FGFR1 915/4885HTR2C 1820/4885

“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.