SCHEMBL17048233

SCHEMBL17048233

CCCc1cncc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL188469 0.88 SMN1; SMN2 (0.44) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL5848405 0.86 L3MBTL1 (0.50) HTTMAPTSMN1; SMN2POLBHCRTR1
SCHEMBL16390248 0.84 NOS1 (0.42) CHRNB2CHRNA4L3MBTL1
SCHEMBL17843111 0.83 KDM4E (0.39) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL30895742 0.82
SCHEMBL670394 0.82
SCHEMBL16213390 0.80 KDM4E (0.41) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL13430051 0.78 POLB (0.36) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL14993561 0.78 POLB (0.36) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL783406 0.78 POLB (0.41) HTTMAPTSMN1; SMN2POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322726-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
US-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
WO-2015140055-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
CN-102639515-A Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-08-15 CN 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 (4 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-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HTT 95/4885MAPT 965/4885SMN1; SMN2 3283/4885
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 HTT 3993/4885MAPT 4761/4885SMN1; SMN2 4422/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 HTT 3993/4885MAPT 4761/4885SMN1; SMN2 4422/4885
US-20230322726-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 HTT 2959/4885MAPT 4611/4885SMN1; SMN2 3165/4885

“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.