SCHEMBL21361176

SCHEMBL21361176

O=C1NCCN2c3nc(Cl)ncc3CC12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK6 Q00534 1/20 0.40
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31

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
SCHEMBL17396574 0.79 KDM4E (0.49) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL5936890 0.68 ALDH1A1 (0.64) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL15223583 0.68 ALDH1A1 (0.64) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL4581908 0.67 ABL1 (0.42) MAPTABL1BCR
SCHEMBL5936773 0.67 ALDH1A1 (0.60) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL17181041 0.66 CDK4 (0.52) CDK4CCND1CDK6RXFP1KDM4E
SCHEMBL1688454 0.66 ALDH1A1 (0.58) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL19878910 0.66 CDK4 (0.45) CDK4CCND1CDK6RXFP1KDM4E
SCHEMBL20696704 0.65 ALDH1A1 (0.33) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12323365 0.64 HTR2C (0.38) ALDH1A1SMN1; SMN2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413547-B2 Treatment of Rb-negative tumors using topoisomerase with cyclin dependent kinase 4/6 inhibitors G1 THERAPEUTICS, INC. (US) 2019-09-17 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-10413547-B2 Treatment of Rb-negative tumors using topoisomerase with cyclin dependent kinase 4/6 inhibitors RB1, CDK4, CDK6 CDK4 2/4885CCND1 99/4885CDK6 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.