SCHEMBL15942251

SCHEMBL15942251

Cc1ccc(-c2c[nH]cn2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ TSHR P16473 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 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
SCHEMBL28043951 0.86 ALDH1A1 (0.53) NTRK1ALDH1A1RAB9AMAPTNPC1
SCHEMBL17853473 0.84 NPC1 (0.45) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL4089983 0.79 NTRK1 (0.43) NTRK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL18042052 0.76 DAPK3 (0.46) NTRK1RAB9ANPC1JAK2JAK3
SCHEMBL1283665 0.74 KEAP1 (0.44) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL12647726 0.74 CYP11B1 (0.39) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL5478060 0.74 METAP2 (0.44) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL16416060 0.73 MAPT (0.49) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL21857189 0.73 KDM4E (0.50) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL5821317 0.73 MAPT (0.45) ALDH1A1RAB9AMAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 — — US disclosed
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 — — EP disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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 (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-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 NTRK1 1412/4885ALDH1A1 2289/4885RAB9A 1454/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 NTRK1 1466/4885ALDH1A1 2838/4885RAB9A 1517/4885

“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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