SCHEMBL16285676

SCHEMBL16285676

COc1cccc(Cn2c(=O)ccc3ccc(Nc4ccc(N5CCN(C)CC5)cc4)cc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
USP2 O75604 7/20 0.50
CYP3A4 P08684 6/20 0.50
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2D6 P10635 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
JAK2 O60674 3/20 0.49
PTK2 Q05397 1/20 0.49
EGFR P00533 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
BRD4 O60885 2/20 0.48
CYP2C19 P33261 2/20 0.48
CASP1 P29466 4/20 0.46

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
SCHEMBL16285671 0.90 MEN1 (0.53) KMT2AALDH1A1MEN1JAK2PTK2
SCHEMBL16285681 0.87 FYN (0.56) JAK2EGFRJAK1TYK2JAK3
SCHEMBL16285670 0.87 NTRK1 (0.50) KMT2AJAK2EGFRJAK1TYK2
SCHEMBL16285675 0.87 EGFR (0.49) JAK2PTK2EGFRJAK1TYK2
SCHEMBL10192665 0.83 JAK3 (0.70) KMT2AUSP2CYP3A4ALDH1A1MEN1
SCHEMBL16285698 0.82 CDK4 (0.48) JAK2EGFRJAK1TYK2JAK3
SCHEMBL16285673 0.82 FYN (0.56) JAK2PTK2EGFRJAK1TYK2
SCHEMBL16285677 0.82 JAK2 (0.49) KMT2AALDH1A1JAK2PTK2JAK3
SCHEMBL16285697 0.82 MAPT (0.51) CYP3A4ALDH1A1CYP1A2HSD17B10JAK2
SCHEMBL16285674 0.82 CDK4 (0.50) JAK2EGFRJAK1TYK2JAK3

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 KMT2A 1745/4885USP2 618/4885CYP3A4 4860/4885

“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.