SCHEMBL16009200

SCHEMBL16009200

CNc1cc(Br)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.51
▸ KDM1A O60341 1/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NCF1 P14598 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
SCHEMBL4272819 0.81 SLC2A1 (0.56) HTR3AKDM1ANUDT1SLC2A1KDM4E
SCHEMBL1238925 0.79 CYP1A2 (0.60) HTR3ALMNACYP1A2L3MBTL1MEN1
SCHEMBL6462106 0.78 IGF1R (0.52) HTR3AKDM1ANUDT1KDM4ECYP1A2
SCHEMBL362901 0.75 CYP1A2 (0.64) KDM4ELMNACYP1A2L3MBTL1HTT
SCHEMBL1257332 0.74 BACE1 (0.44) ATMKDM4ELMNAELANECYP1A2
SCHEMBL29726892 0.74 BACE1 (0.44) ATMKDM4ELMNAELANECYP1A2
SCHEMBL25110127 0.74 TLR7 (0.65) HTR3ANUDT1CYP1A2MEN1KMT2A
SCHEMBL26407107 0.74 HTR3A (0.48) HTR3AKDM1ANUDT1SLC2A1KDM4E
SCHEMBL3782691 0.71 CYP3A4 (0.52) KDM4E
SCHEMBL8511566 0.71 MAOA (0.50) KDM4ELMNACYP1A2MEN1HTT

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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 — — US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 — — EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 — — EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 — — WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 — — 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 HTR3A 3978/4885KDM1A 316/4885NUDT1 2293/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR3A 3978/4885KDM1A 316/4885NUDT1 2293/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR3A 3978/4885KDM1A 316/4885NUDT1 2293/4885

“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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