SCHEMBL17593408

SCHEMBL17593408

CC(C)(C#N)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ HTT P42858 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ AR P10275 2/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ GALR3 O60755 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
SCHEMBL19461598 0.82 PDE7A (0.49) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL2815446 0.80 RXRA (0.48) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL14021283 0.79 ALDH1A1 (0.50) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL19461890 0.78 PDE7A (0.46) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL28385727 0.78 ALDH1A1 (0.45) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL16054403 0.78 ALDH1A1 (0.45) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL16054404 0.78 ALDH1A1 (0.45) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL2814868 0.77 PDE7A (0.44) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL20214378 0.77 ALDH1A1 (0.49) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL19461387 0.77 NR1H2 (0.48) ALDH1A1POLBMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 — — EP disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 — — EP disclosed
CN-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 — — CN disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 — — US disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — US disclosed
CN-107250110-A The noval chemical compound of (RET) inhibitor is reset as transfection 葛兰素史克知识产权发展有限公司 2017-10-13 — — CN disclosed
EP-3191449-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-19 — — EP disclosed
WO-2016037578-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 — — 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 (3 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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB PDE7A 1356/4885ALDH1A1 2176/4885POLB 4622/4885
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB PDE7A 1507/4885ALDH1A1 2779/4885POLB 4687/4885
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB PDE7A 1507/4885ALDH1A1 2779/4885POLB 4687/4885

“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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