SCHEMBL3391736

SCHEMBL3391736

N#CCc1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ MAPK10 P53779 4/20 0.39
▸ PKN1 Q16512 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ RHEB Q15382 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CHUK O15111 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CSNK1G2 P78368 1/20 0.38
▸ SCARB1 Q8WTV0 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL3391734 0.87 GRIN1 (0.55) GRIN1GRIN2BEGFRPIN1PKN1
SCHEMBL9063730 0.87 GRIN1 (0.51) GRIN1GRIN2BEGFRIMPDH2IMPDH1
SCHEMBL485969 0.84 GRIN1 (0.43) GRIN1GRIN2BIMPDH2IMPDH1PIN1
SCHEMBL7765425 0.84 DDAH1 (0.53) GRIN1GRIN2BIMPDH2IMPDH1PIN1
SCHEMBL4889180 0.84 CACNA1H (0.46) GRIN1GRIN2BIMPDH2IMPDH1PIN1
SCHEMBL7653718 0.84 TDP1 (0.47) GRIN1GRIN2BIMPDH2IMPDH1PIN1
SCHEMBL7655130 0.81 RAD52 (0.50) GRIN1GRIN2BIMPDH2IMPDH1PIN1
SCHEMBL12596890 0.81 EGFR (0.42) EGFRPIN1MEN1KMT2A
SCHEMBL11339364 0.81 TDP1 (0.47) EGFRMEN1KMT2A
SCHEMBL12940748 0.81 CSNK2A1 (0.45) EGFRMETAP2KMT2A

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
EP-1954764-B1 BENZOPYRAN COLORANTS, METHOD OF MANUFACTURE, AND METHOD OF USE SABIC INNOVATIVE PLASTICS IP (NL) 2010-12-22 — — EP disclosed
EP-1954764-A2 BENZOPYRAN COLORANTS, METHOD OF MANUFACTURE, AND METHOD OF USE General Electric Company (US) 2008-08-13 — — EP disclosed
US-7351461-B2 Articles comprising benzopyran colorants, method of manufacture, and method of use GENERAL ELECTRIC COMPANY (US) 2008-04-01 — — US disclosed
US-20070238817-A1 Articles Comprising Benzopyran Colorants, Method Of Manufacture, And Method Of Use GENERAL ELECTRIC COMPANY (US) 2007-10-11 — — US disclosed
US-7270772-B2 Benzopyran colorants, method of manufacture, and method of use GENERAL ELECTRIC COMPANY (US) 2007-09-18 — — US disclosed
WO-2007064563-A2 BENZOPYRAN COLORANTS, METHOD OF MANUFACTURE, AND METHOD OF USE GENERAL ELECTRIC COMPANY (US) 2007-06-07 — — WO disclosed
US-20070122746-A1 BENZOPYRAN COLORANTS, METHOD OF MANUFACTURE, AND METHOD OF USE SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2007-05-31 — — US disclosed
US-4097484-A ORGANIC PIGMENTS, PLASTICS CIBA-GEIGY CORPORATION (US) 1978-06-27 — — US disclosed
US-4002635-A FOR COLORING PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1977-01-11 — — US disclosed
US-3994899-A METHINE CIBA-GEIGY CORPORATION (US) 1976-11-30 — — 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-20070122746-A1 BENZOPYRAN COLORANTS, METHOD OF MANUFACTURE, AND METHOD OF USE CBR3, CBR1, NQO1 GRIN1 3915/4885GRIN2B 4371/4885EGFR 4288/4885
US-20070238817-A1 Articles Comprising Benzopyran Colorants, Method Of Manufacture, And Method Of Use CBR3, CBR1, HCCS GRIN1 4427/4885GRIN2B 4748/4885EGFR 4559/4885

“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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