SCHEMBL19929612

SCHEMBL19929612

Cc1ccc([N+](=O)[O-])cc1NCc1cnc(Cl)nc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.48
LMNA P02545 1/20 0.47
DHFR P00374 4/20 0.45
MAPT P10636 7/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.40
ALPG P10696 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL19922716 0.89 KAT2B (0.47) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL19922803 0.86 KAT2B (0.45) KAT2BLMNADHFRMAPTCYP3A4
SCHEMBL3127032 0.85 KAT2B (0.46) KAT2BLMNADHFRMAPTCYP3A4
SCHEMBL31264926 0.74 MAPT (0.37) LMNAMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL265800 0.71 TSHR (0.48) DHFRTSHR
SCHEMBL5823344 0.70 KAT2B (0.42) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL3569040 0.69 ALDH1A1 (0.55) KAT2BLMNAMAPTHTTALDH1A1
SCHEMBL5982382 0.69 KAT2B (0.64) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL8249825 0.69 KAT2B (0.81) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL3578829 0.68 KMT2A (0.38) KAT2BLMNADHFRMAPTCYP3A4

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-20180065970-A1 UREA COMPOUNDS CONTAINING 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE SKELETON AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-03-08 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-20180065970-A1 UREA COMPOUNDS CONTAINING 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE SKELETON AS PROTEIN KINASE INHIBITORS MAP4K2, CMPK1, MTOR KAT2B 2942/4885LMNA 3842/4885DHFR 3113/4885

“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.