SCHEMBL2258926

SCHEMBL2258926

Cc1nc(N(C)c2ccc(NC=O)cc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.61
▸ PDGFRB P09619 3/20 0.61
▸ KDR P35968 3/20 0.61
▸ HDAC8 Q9BY41 5/20 0.55
▸ HDAC6 Q9UBN7 5/20 0.55
▸ HDAC1 Q13547 4/20 0.55
▸ HDAC11 Q96DB2 1/20 0.48
▸ PDE5A O76074 2/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2E1 P05181 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL2257197 0.84 EGFR (0.67) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2257482 0.81 EGFR (0.60) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3114136 0.81 EGFR (0.60) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL19789164 0.81 EGFR (0.74) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3115859 0.81 EGFR (0.74) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2263168 0.80 EGFR (0.58) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2257678 0.79 EGFR (0.64) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3109895 0.78 EGFR (0.70) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2256177 0.78 EGFR (0.70) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3120940 0.78 EGFR (0.70) EGFRPDGFRBKDRHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 — — US claimed
EP-1833482-A2 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 — — EP claimed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 — — WO claimed
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 — — US disclosed
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 — — US disclosed
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 — — US disclosed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 — — US disclosed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 — — 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-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 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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