SCHEMBL952642

SCHEMBL952642

Cc1nn2ccccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.38
PDE4B Q07343 3/20 0.38
KMT2A Q03164 3/20 0.38
MIF P14174 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE3A Q14432 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
PDE4A P27815 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 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
SCHEMBL6490723 0.80 PDE5A (0.41) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL6490727 0.79 PDE5A (0.44) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL10811958 0.77 PDE4B (0.58) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL13257675 0.76 PDE5A (0.38) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL3319530 0.76 EGFR (0.45) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL15742623 0.76 PDE5A (0.38) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL30814363 0.76 PDE5A (0.38) PDE5APDE4BKMT2AMIFALDH1A1
Hydrochloric Acid SCHEMBL7827492 0.74 EGFR (0.44) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL24656168 0.73 ALDH1A1 (0.41) PDE5APDE4BKMT2AMIFALDH1A1
SCHEMBL13646858 0.73 MIF (0.40) PDE5APDE4BKMT2AMIFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 WO disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B PDE5A 4113/4885PDE4B 3693/4885KMT2A 132/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PDE5A 2924/4885PDE4B 2393/4885KMT2A 2459/4885

“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.