SCHEMBL17898192

SCHEMBL17898192

CC(C)c1nc2c(ncn2C)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
XDH P47989 3/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
HPRT1 P00492 1/20 0.36
TK1 P04183 1/20 0.36
GDA Q9Y2T3 1/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34

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
SCHEMBL22907592 0.83 CDK2 (0.46) CDK1XDHHPRT1ADORA2AADORA1
SCHEMBL25745271 0.80 PI4KA (0.39) CYP3A4XDHCDK4CCND1HPRT1
SCHEMBL9910656 0.78 XDH (0.42) CDK1CYP3A4MAPK1PMP22XDH
SCHEMBL18521149 0.77 CDK1 (0.40) CDK1CYP3A4MAPK1PMP22XDH
9-Methylguanine SCHEMBL22884 0.77 XDH (0.58) XDHHPRT1TK1
SCHEMBL3427614 0.77 CDK1 (0.47) CDK1CYP3A4MAPK1PMP22XDH
SCHEMBL26010885 0.76 YTHDC1 (0.42) YTHDC1TK1GDAPDE4APDE4B
SCHEMBL25768778 0.76 IMPDH2 (0.36) CYP3A4XDHCDK4CCND1HPRT1
9-Methylguanine SCHEMBL27339404 0.75 XDH (0.57) XDHHPRT1TK1
SCHEMBL25100647 0.74 CDK1 (0.38) CDK1CYP3A4MAPK1PMP22XDH

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
WO-2019023651-A2 SMALL MOLECULE MODULATORS OF THE ANDROGEN RECEPTOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-01-31 WO disclosed
US-20160193150-A1 REDUCING OR NON-REDUCING POLYNUCLEOTIDE POLYMER FOR DRUG DELIVERY AND METHOD FOR PREPARING SAME THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-07-07 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-20160193150-A1 REDUCING OR NON-REDUCING POLYNUCLEOTIDE POLYMER FOR DRUG DELIVERY AND METHOD FOR PREPARING SAME PHAX, PCNP, NUP205 CDK1 3945/4885CYP3A4 4806/4885MAPK1 3228/4885

“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.