SCHEMBL9481963

SCHEMBL9481963

CN(C)c1nc(-c2ccccc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
KMT2A Q03164 6/20 0.62
NPC1 O15118 5/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
TP53 P04637 2/20 0.62
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
MMP13 P45452 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GRM1 Q13255 1/20 0.54

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
SCHEMBL11280125 0.85 ALDH1A1 (0.61) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL9422086 0.84 NPC1 (0.80) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL18674611 0.84 RAB9A (0.57) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL22594687 0.83 RAB9A (0.62) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL18387683 0.82 RAB9A (0.56) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL19272690 0.82 RAB9A (0.56) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL7476639 0.81 RAB9A (0.60) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL12070478 0.81 RAB9A (0.60) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL16083113 0.81 RAB9A (0.60) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL1009194 0.81 RAB9A (0.68) RAB9AKMT2ANPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831889-A1 COMPOUND, INK, COLOR FILTER RESIST COMPOSITION, COLOR FILTER, THEREMOSENSITIVE TRANSFER RECORD SHEET, AND TONER CANON KABUSHIKI KAISHA (JP) 2021-06-09 EP disclosed
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 EP disclosed
WO-2020026855-A1 COMPOUND, INK, COLOR FILTER RESIST COMPOSITION, COLOR FILTER, THEREMOSENSITIVE TRANSFER RECORD SHEET, AND TONER キヤノン株式会社 2020-02-06 WO disclosed
EP-3322702-B1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LTD (GB) 2019-11-20 EP disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-7294640-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-11-13 US disclosed
US-5244860-A PRESSURE-SENSITIVE RECORDING AND TRANSFER MATERIAL CIBA-GEIGY CORPORATION (US) 1993-09-14 US disclosed
EP-0373110-B1 PRESSURE-SENSITIVE OR HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY AG (CH) 1993-04-21 EP disclosed
EP-0465403-A1 Pressure sensitive recording and transfer material CIBA-GEIGY AG (CH) 1992-01-08 EP disclosed
EP-0465402-A1 Heat sensitive recording material CIBA-GEIGY AG (CH) 1992-01-08 EP disclosed
EP-0463987-A1 Pressure sensitive recording material CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed
US-5024988-A Color reaction system comprising a polycyclic heterocyclic compound, a leuko dye to form a chromogen with the first compound, a Lewis acid and developer CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0373110-A2 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed
US-4269978-A CHROMOGENS; ENCAPSULATED FOR REPRODUCTION AND RECORDING PURPOSES CIBA-GEIGY CORPORATION (US) 1981-05-26 US disclosed
US-4100169-A USEFUL AS COLOR FORMERS CIBA-GEIGY CORPORATION (US) 1978-07-11 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 (1 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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 RAB9A 3590/4885KMT2A 561/4885NPC1 4834/4885

“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.