SCHEMBL15946705

SCHEMBL15946705

C=CC(=O)Cc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ HPGD P15428 4/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX12 P18054 1/20 0.34

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
SCHEMBL14889172 0.80 AKT1 (0.43) ALDH1A1HSD17B10TSHRAKT1HPGD
SCHEMBL668441 0.78 AKR1B1 (0.61) TSHRAKT1AKR1B1
SCHEMBL28659478 0.77 FDPS (0.46) ALDH1A1HSD17B10TSHRFDPSHPGD
SCHEMBL705718 0.77 CTBP2 (0.50) ALDH1A1AKT1HPGDMAPTMEN1
SCHEMBL28424162 0.76 AKT1 (0.39) ALDH1A1HSD17B10TSHRAKT1HPGD
SCHEMBL72851 0.75 AKR1B1 (0.61) TSHRFDPSHPGDCYP2C9CYP2C19
SCHEMBL1039164 0.75 FDPS (0.48) ALDH1A1HSD17B10TSHRFDPSHPGD
SCHEMBL5164226 0.75 FDPS (0.44) ALDH1A1HSD17B10TSHRFDPSHPGD
SCHEMBL15402769 0.74 KMT2A (0.51) AKT1KMT2AHDAC3HDAC1
SCHEMBL14889217 0.74 AKT1 (0.42) TSHRAKT1HPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 — — US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 — — US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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 (5 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HSD17B10 3261/4885TSHR 3596/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 ALDH1A1 2289/4885HSD17B10 2821/4885TSHR 3598/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HSD17B10 3261/4885TSHR 3596/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HSD17B10 3261/4885TSHR 3596/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HSD17B10 3261/4885TSHR 3596/4885

“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.

Send feedback