SCHEMBL16489705

SCHEMBL16489705

C=C1C(C)=CC(c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)c(Cl)c2)=CN1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
KCNH2 Q12809 1/20 0.51
DCTPP1 Q9H773 2/20 0.45
KMT2A Q03164 1/20 0.43
RHEB Q15382 2/20 0.42
SOS1 Q07889 3/20 0.42
TYMS P04818 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
PPARG P37231 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL16489645 0.78 BRD4 (0.56) BRD4KDM4ESMN1; SMN2LMNATSHR
SCHEMBL16489661 0.78 BRD4 (0.53) BRD4KCNH2KMT2ASOS1CYP2C19
SCHEMBL16489610 0.77 BRD4 (0.55) BRD4KDM4ESMN1; SMN2LMNAHTT
SCHEMBL16489620 0.77 ALDH1A1 (0.56) BRD4KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL16489655 0.75 BRD4 (0.56) BRD4KDM4ESMN1; SMN2LMNATSHR
SCHEMBL16489613 0.75 BRD4 (0.55) BRD4KDM4ESMN1; SMN2LMNAHTT
SCHEMBL16489647 0.75 BRD4 (0.53) BRD4KDM4ESMN1; SMN2LMNANPC1
SCHEMBL16489667 0.74 BRD4 (0.57) BRD4SOS1
SCHEMBL16489648 0.74 BRD4 (0.58) BRD4KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL16489624 0.73 BRD4 (0.56) BRD4DCTPP1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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 (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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885KCNH2 1318/4885DCTPP1 1193/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885KCNH2 1318/4885DCTPP1 1193/4885

“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.