SCHEMBL14868950

SCHEMBL14868950

Cc1ccc(N(C)C(=O)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.57
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 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
SCHEMBL14202694 0.94 MLYCD (0.53) MLYCDALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL19235630 0.83 MLYCD (0.57) MLYCDALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL17572209 0.82 MLYCD (0.56) MLYCDSMN1; SMN2
SCHEMBL10266900 0.82 MLYCD (0.56) MLYCDALDH1A1RAB9AMEN1KMT2A
SCHEMBL24339824 0.82 MLYCD (0.56) MLYCDALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL1139982 0.81 MLYCD (0.54) MLYCDSMN1; SMN2KMT2AKDM4E
SCHEMBL6672366 0.80 MLYCD (0.54) MLYCDALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL28393169 0.80 ALDH1A1 (0.45) MLYCDALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL1140385 0.79 MLYCD (0.53) MLYCDALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL12679956 0.78 ALDH1A1 (0.44) MLYCDALDH1A1SMN1; SMN2RAB9ATSHR

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-3190111-B1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2020-05-06 EP disclosed
US-9975893-B2 Pyrazolo[3,4-c]pyridine derivatives CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2018-05-22 US disclosed
US-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-10-12 US disclosed
EP-3190111-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-07-12 EP disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 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-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES F11, TFPI, F2 MLYCD 4672/4885ALDH1A1 2886/4885SMN1; SMN2 2038/4885
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MAPK1, MAPK6, MAPK3 MLYCD 2051/4885ALDH1A1 695/4885SMN1; SMN2 4688/4885

“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.