SCHEMBL16285673

SCHEMBL16285673

CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5cccnc5)c4c3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.56
CDK4 P11802 9/20 0.52
CCND1 P24385 8/20 0.52
CCND2 P30279 8/20 0.52
CCND3 P30281 8/20 0.52
JAK3 P52333 4/20 0.51
JAK2 O60674 3/20 0.51
EGFR P00533 2/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
BTK Q06187 1/20 0.51
PTK2 Q05397 2/20 0.49
CCNE2 O96020 2/20 0.45
CCNA2 P20248 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA1 P78396 2/20 0.45
AURKA O14965 1/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL16285674 0.88 CDK4 (0.50) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285681 0.88 FYN (0.56) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285670 0.84 NTRK1 (0.50) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285675 0.84 EGFR (0.49) FYNCDK4CCND1CCND2CCND3
SCHEMBL10192677 0.83 CDK4 (0.73) CDK4CCND1CCND2CCND3JAK3
SCHEMBL16285698 0.83 CDK4 (0.48) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285697 0.82 MAPT (0.51) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285683 0.82 CDK4 (0.48) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285676 0.82 KMT2A (0.57) FYNCDK4CCND1CCND2CCND3
SCHEMBL16285693 0.82 CDK4 (0.50) FYNCDK4CCND1CCND2CCND3

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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A FYN 648/4885CDK4 2824/4885CCND1 4822/4885

“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.