SCHEMBL2621750

SCHEMBL2621750

CN1CCC(N(C)c2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ NSD2 O96028 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ NMT1 P30419 2/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ EHMT2 Q96KQ7 2/20 0.36
▸ EHMT1 Q9H9B1 2/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL12928132 0.76 PIK3CA (0.50) POLBKMT2AHTTMEN1SMN1; SMN2
SCHEMBL31314983 0.75 SMN1; SMN2 (0.39) POLBKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2621737 0.75 ALDH1A1 (0.41) KMT2AHTTMEN1SMN1; SMN2ALDH1A1
SCHEMBL29414488 0.75 ALDH1A1 (0.41) KMT2AHTTMEN1SMN1; SMN2ALDH1A1
SCHEMBL20319824 0.75 HTT (0.58) POLBKMT2AHTTMEN1SMN1; SMN2
SCHEMBL3095779 0.73 HTT (0.43) POLBKMT2AHTTMEN1SMN1; SMN2
SCHEMBL30349356 0.73 MET (0.48) POLBKMT2AHTTMEN1PDPK1
SCHEMBL30399892 0.73 PDGFRB (0.46) POLBKMT2AHTTMEN1PDPK1
SCHEMBL2621757 0.73 MET (0.48) POLBKMT2AHTTMEN1PDPK1
SCHEMBL2621741 0.73 PDGFRB (0.46) POLBKMT2AHTTMEN1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — 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 (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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 POLB 1132/4885KMT2A 1925/4885HTT 1856/4885

“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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