SCHEMBL13041966

SCHEMBL13041966

Cc1cc2ncncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RPS6KA5 O75582 5/20 0.35
▸ RPS6KA4 O75676 3/20 0.35
▸ EGFR P00533 9/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL27790235 0.76 RPS6KA5 (0.39) RPS6KA5RPS6KA4EGFRCYP11B1CYP11B2
SCHEMBL22516864 0.75 CYP1A2 (0.39) CASP1CASP7HSD17B10CYP1A2DHFR
SCHEMBL23519529 0.73 KDM4E (0.35) CASP1CASP7HSD17B10DHFRALDH1A1
SCHEMBL23097832 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20223112 0.71 BRPF1 (0.40) CASP1CASP7HSD17B10RPS6KA5RPS6KA4
SCHEMBL30473131 0.71 BRPF1 (0.40) CASP1CASP7HSD17B10RPS6KA5RPS6KA4
SCHEMBL35211521 0.70 MAPK1 (0.35) HSD17B10CYP1A2CYP3A4TSHRCLK4
SCHEMBL5438186 0.69 RPS6KA5 (0.44) CASP1CASP7HSD17B10RPS6KA5CYP1A2
SCHEMBL10151403 0.69 MKNK2 (0.41) HSD17B10EGFRCYP1A2CYP3A4TSHR
SCHEMBL2628318 0.69 RPS6KA5 (0.32) RPS6KA5RPS6KA4CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 — — WO disclosed
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 — — US disclosed
WO-2017201187-A1 LIM KINASE INHIBITORS VIRONGY, LLC (US) 2017-11-23 — — WO disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 — — US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 — — US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 — — 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 (4 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 CASP1 2181/4885CASP7 3144/4885HSD17B10 54/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 CASP1 2049/4885CASP7 3595/4885HSD17B10 32/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 CASP1 2695/4885CASP7 3854/4885HSD17B10 20/4885
US-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 CASP1 2268/4885CASP7 2484/4885HSD17B10 3799/4885

“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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