SCHEMBL16285693

SCHEMBL16285693

CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccn5)c4c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.50
CCND1 P24385 7/20 0.50
CCND2 P30279 7/20 0.50
CCND3 P30281 7/20 0.50
FYN P06241 2/20 0.46
EGFR P00533 3/20 0.45
FLT3 P36888 1/20 0.44
JAK3 P52333 3/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
BTK Q06187 1/20 0.44
BRD4 O60885 1/20 0.44
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.44
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
FGFR1 P11362 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL16285681 0.85 FYN (0.56) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285683 0.85 CDK4 (0.48) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285674 0.83 CDK4 (0.50) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285672 0.82 CCND3 (0.47) CDK4CCND1CCND2CCND3FYN
SCHEMBL10192676 0.82 CDK4 (0.73) CDK4CCND1CCND2CCND3EGFR
SCHEMBL16285673 0.82 FYN (0.56) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285713 0.82 CDK4 (0.46) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285692 0.82 CDK4 (0.46) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285699 0.82 CDK4 (0.46) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285708 0.80 CDK4 (0.47) CDK4CCND1CCND2CCND3FYN

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 CDK4 2824/4885CCND1 4822/4885CCND2 4718/4885

“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.