SCHEMBL12326822

SCHEMBL12326822

Cc1cc(C#N)cc(C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
EGLN2 Q96KS0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
DRD3 P35462 6/20 0.37
DRD2 P14416 5/20 0.37
FFAR4 Q5NUL3 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP1 P29466 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
MGLL Q99685 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL16950636 0.80 HTR2C (0.34) HTR2C
SCHEMBL16957971 0.80 HTR2C (0.45) HTR2CALDH1A1TSHRMGLL
SCHEMBL16954865 0.78 HTR2C (0.43) HTR2CALDH1A1TSHRMGLLNPSR1
SCHEMBL26633644 0.77 DRD2 (0.35) ALDH1A1CYP2A6DRD3DRD2FFAR4
SCHEMBL24690097 0.76 EGLN2 (0.37) EGLN2ALDH1A1DRD3DRD2CYP2D6
SCHEMBL16959366 0.76 DRD2 (0.40) EGLN2DRD3DRD2CYP2D6TSHR
SCHEMBL16954813 0.76 EGLN2 (0.37) EGLN2DRD3DRD2CYP2D6TSHR
SCHEMBL29672154 0.76 TRPM5 (0.39) EGLN2DRD3DRD2GRM5
SCHEMBL16961551 0.76 EGLN2 (0.37) EGLN2DRD3DRD2CYP2D6TSHR
SCHEMBL1978879 0.76 MEN1 (0.38) EGLN2DRD3DRD2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 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 (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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 HTR2C 3648/4885EGLN2 3453/4885ALDH1A1 1380/4885

“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.