SCHEMBL3127032

SCHEMBL3127032

CSc1ncc(CNc2cc([N+](=O)[O-])ccc2C)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 8/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 5/20 0.42
DHFR P00374 3/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
ALPG P10696 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
SCHEMBL19929612 0.85 KAT2B (0.48) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL19922716 0.78 KAT2B (0.47) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL3578829 0.76 KMT2A (0.38) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL3578831 0.75 KMT2A (0.39) LMNAMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL19922803 0.73 KAT2B (0.45) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL30955666 0.73 JAK2 (0.38) LMNAMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL5823344 0.71 KAT2B (0.42) KAT2BLMNAMAPTCYP3A4CYP1A2
SCHEMBL5231370 0.70 DHFR (0.55) LMNAMAPTDHFRMEN1KMT2A
SCHEMBL10105955 0.69 ALDH1A1 (0.46) LMNAMAPTHTTALDH1A1MEN1
SCHEMBL6619638 0.69 DHFR (0.41) LMNAMAPTHTTDHFRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 US disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO 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 (2 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-20050222177-A1 Compounds and compositions as protein kinase inhibitors BMX, FES, FRK KAT2B 2212/4885LMNA 4411/4885MAPT 2581/4885
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BMX, FES, FRK KAT2B 2212/4885LMNA 4411/4885MAPT 2581/4885

“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.