SCHEMBL13609660

SCHEMBL13609660

COc1c(Br)cc(N(C)c2nc(C)nc3ccc([N+](=O)O)cc23)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 7/20 0.41
▸ EGFR P00533 6/20 0.41
▸ KDR P35968 6/20 0.41
▸ HDAC8 Q9BY41 8/20 0.41
▸ HDAC6 Q9UBN7 8/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ PDGFRA P16234 3/20 0.39
▸ HDAC1 Q13547 9/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38

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
SCHEMBL3111262 0.89 ALDH1A1 (0.42) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL2259064 0.81 PDGFRB (0.41) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL14410306 0.75 KDR (0.61) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL3109889 0.73 KDR (0.61) PDGFRBEGFRKDRPDGFRA
SCHEMBL14270084 0.71 EGFR (0.62) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL2263021 0.71 EGFR (0.55) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL3108338 0.70 KDR (0.68) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL2256621 0.69 ABCG2 (0.51) PDGFRBEGFRKDRCYP1A2CYP3A4
SCHEMBL3107580 0.69 EGFR (0.47) PDGFRBEGFRKDRHDAC8HDAC6
SCHEMBL2257287 0.66 PDGFRB (0.70) PDGFRBEGFRKDRHDAC8HDAC6

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-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 — — US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 — — 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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2620/4885EGFR 2915/4885KDR 3716/4885

“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.

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