SCHEMBL1087536

SCHEMBL1087536

N#Cc1ccc(C2=C3C(=O)NC(c4ccc(C#N)cc4)=C3C(=O)N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
MMP3 P08254 1/20 0.42
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 2/20 0.40
KIF11 P52732 2/20 0.38
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PGR P06401 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
IDO1 P14902 1/20 0.36
CHEK1 O14757 1/20 0.36
SLK Q9H2G2 1/20 0.35

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
SCHEMBL10085389 0.93 TSHR (0.43) LRRK2IDO1CHEK1SLK
SCHEMBL7492741 0.91 MAOA (0.44) NOTUMMMP3ALDH1A1
SCHEMBL16441196 0.87 KIF11 (0.62) KIF11
SCHEMBL12509901 0.80 ALDH1A1 (0.40) ALDH1A1CYP2A6PGRCHEK1
SCHEMBL7488025 0.79 CYP11B1 (0.39) CA2CA1PGRSLK
SCHEMBL12509754 0.79 CHEK1 (0.52) PGRCHEK1SLK
SCHEMBL815228 0.78 CHEK1 (0.51) PGRIDO1CHEK1SLK
SCHEMBL12509906 0.78 CHEK1 (0.51) PGRIDO1CHEK1SLK
SCHEMBL7756554 0.77 CHEK1 (0.47) PGRCHEK1SLK
SCHEMBL12577698 0.77 CHEK1 (0.47) PGRIDO1CHEK1SLK

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242327-B1 PIGMENTED VITREOUS MATERIAL ITS PRECURSOR GLASS ITEMS COATED THEREWITH AND METHOD OF ITS PREPARATION CIBA SC HOLDING AG (CH) 2004-03-31 EP claimed
US-6248165-B1 ORGANIC RED PIGMENTS FOR CELLULOSES AND PLASTICS; INCORPORATING A THIRD COMPONENT OF A DIKETOPYRROLE OR QUINACRIDONE PIGMENT INTO THE CRYSTAL LATTICE OF THE MIXED CRYSTAL; COLORFASTNESS; WEATHERPROOFING CIBA SPECIALTY CHEMICALS CORPORATION 2001-06-19 US claimed
EP-0968250-B1 SOLUBLE CHROMOPHORES HAVING IMPROVED SOLUBILISING GROUPS CIBA SC HOLDING AG (CH) 2001-04-18 EP claimed
US-5869625-A PAINTS CIBA SPECIALTY CHEMICAL CORPORATION (US) 1999-02-09 US claimed
US-12528789-B2 Isoindoline derivatives SUN CHEMICAL B.V. (NL) 2026-01-20 US disclosed
CN-114466843-B Isoindoline derivatives 巴斯夫色彩与效果有限公司 2024-04-05 CN disclosed
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
US-20220356171-A1 ISOINDOLINE DERIVATIVES BASF COLORS & EFFECTS GMBH (DE) 2022-11-10 US disclosed
CN-112313290-B Red pigment composition for color filter 太阳化学有限公司 2022-11-04 CN disclosed
EP-4038145-A1 ISOINDOLINE DERIVATIVES BASF Colors & Effects GmbH (DE) 2022-08-10 EP disclosed
CN-114466843-A Isoindoline derivatives 巴斯夫色彩与效果有限公司 2022-05-10 CN disclosed
EP-3922681-A1 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-12-15 EP disclosed
EP-0794235-B1 Ternary solid solutions of 1,4-diketo-pyrrolopyrroles and quinacridones CIBA SC HOLDING AG (CH) 2000-02-02 EP disclosed
EP-0704497-B1 Mixed crystals and solid solutions of 1,4 diketopyrrolopyrroles CIBA SC HOLDING AG (CH) 1999-12-15 EP disclosed
EP-0794235-A1 Ternary solid solutions of 1,4-diketo-pyrrolopyrroles and quinacridones Ciba SC Holding AG (CH) 1997-09-10 EP disclosed
EP-0704497-A1 Mixed crystals and solid solutions of 1,4 diketopyrrolopyrroles CIBA-GEIGY AG (CH) 1996-04-03 EP disclosed
EP-0133156-B1 1,4-DIKETOPYRROLO-(3,4-C) PYRROLES CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4666455-A Compositions pigmented with N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles CIBA-GEIGY CORPORATION (US) 1987-05-19 US disclosed
US-4585878-A N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles CIBA-GEIGY CORPORATION (US) 1986-04-29 US disclosed
EP-0133156-A2 1,4-Diketopyrrolo-(3,4-c) pyrroles CIBA-GEIGY AG (CH) 1985-02-13 EP 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-12528789-B2 Isoindoline derivatives CRY2, IK, TYR NOTUM 4058/4885MMP3 2452/4885CA2 379/4885
US-20220356171-A1 ISOINDOLINE DERIVATIVES IDO2, CRY2, CORO1C NOTUM 4306/4885MMP3 3801/4885CA2 558/4885

“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.