SCHEMBL11937476

SCHEMBL11937476

COc1ccc2ccccc2c1-c1c[nH]cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ SLC22A12 Q96S37 2/20 0.49
▸ IMPDH2 P12268 1/20 0.49
▸ IMPDH1 P20839 1/20 0.49
▸ NISCH Q9Y2I1 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NQO1 P15559 1/20 0.37
▸ MCL1 Q07820 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
SCHEMBL19435574 0.83 IMPDH2 (0.64) MAPTSLC22A12IMPDH2IMPDH1NISCH
SCHEMBL19435545 0.76 SLC22A12 (0.57) MAPTSLC22A12IMPDH2IMPDH1NISCH
SCHEMBL10505510 0.76 AR (0.47) IMPDH2IMPDH1ALDH1A1MAOAMAOB
SCHEMBL30343622 0.76 AR (0.47) IMPDH2IMPDH1ALDH1A1MAOAMAOB
SCHEMBL29428410 0.75 MAPT (1.00) MAPTNISCHMEN1KMT2AALDH1A1
SCHEMBL998182 0.75 MAPT (1.00) MAPTNISCHMEN1KMT2AALDH1A1
SCHEMBL12880138 0.74 MAPT (0.75) MAPTNISCHMEN1KMT2AALDH1A1
SCHEMBL29512056 0.74 MAPT (0.75) MAPTNISCHMEN1KMT2AALDH1A1
SCHEMBL28384020 0.71 IMPDH2 (0.51) MAPTSLC22A12IMPDH2IMPDH1MEN1
SCHEMBL10792994 0.71 PRKCQ (0.49) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 — — US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 — — US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 — — US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 — — US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 — — US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 — — US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 — — 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 MAPT 4761/4885SLC22A12 259/4885IMPDH2 664/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO MAPT 4363/4885SLC22A12 504/4885IMPDH2 644/4885

“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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