SCHEMBL3391734

SCHEMBL3391734

N#CCc1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
PIN1 Q13526 1/20 0.54
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
CSNK1D P48730 8/20 0.50
CSNK1A1 P48729 6/20 0.50
CSNK1G2 P78368 6/20 0.50
GSK3B P49841 5/20 0.50
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
CHEK2 O96017 1/20 0.46
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL3391736 0.87 GRIN1 (0.43) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL31516298 0.84 KMT2A (0.66) PIN1KMT2APOLBKDM4EMEN1
SCHEMBL8985181 0.84 KMT2A (0.66) PIN1KMT2APOLBKDM4EMEN1
SCHEMBL7653726 0.84 TDP1 (0.59) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL7381841 0.84 GRIN1 (0.55) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL22553665 0.81 GRIN1 (0.53) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL7655135 0.81 RAD52 (0.61) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL31516296 0.81 TDP1 (0.64) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL31516312 0.81 IDO1 (0.60) PIN1METAP2METAP1KMT2APOLB
SCHEMBL11339381 0.81 TDP1 (0.64) KMT2AKDM4EMEN1ALDH1A1MAPT

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 4371/4885PIN1 1481/4885
US-20070238817-A1 Articles Comprising Benzopyran Colorants, Method Of Manufacture, And Method Of Use CBR3, CBR1, HCCS GRIN1 4427/4885GRIN2B 4748/4885PIN1 875/4885

“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.