SCHEMBL1945464

SCHEMBL1945464

CN(C)c1ccccc1-c1cn2nc(NC3CCCCC3)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ F2RL3 Q96RI0 6/20 0.38
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALOX5 P09917 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
SCHEMBL1945738 0.84 F2RL3 (0.53) FYNNPC1RAB9AF2RL3CCNA2
SCHEMBL1944382 0.81 CCNA2 (0.38) FYNNPC1RAB9AF2RL3CCNA2
SCHEMBL1945461 0.77 FYN (0.61) FYN
SCHEMBL1946551 0.76 FYN (0.43) FYNNPC1RAB9AF2RL3SMN1; SMN2
SCHEMBL1945123 0.76 NPC1 (0.40) FYNNPC1RAB9AF2RL3SMN1; SMN2
SCHEMBL1947371 0.75 FYN (0.68) FYNSMN1; SMN2MAPT
SCHEMBL1944141 0.74 F2RL3 (0.42) NPC1RAB9AF2RL3SMN1; SMN2TP53
SCHEMBL1944906 0.74 FYN (0.47) FYNNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1946595 0.74 MAPT (0.53) FYNNPC1RAB9AF2RL3SMN1; SMN2
SCHEMBL1948007 0.74 CCNA2 (0.47) FYNNPC1RAB9ACCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 — — EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 — — EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 — — US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 — — 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885NPC1 3811/4885RAB9A 2542/4885

“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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