SCHEMBL1941340

SCHEMBL1941340

CC(C)(C)OC(=O)Nc1cc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.62
▸ CCR2 P41597 2/20 0.56
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPC1 O15118 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPRG P23470 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39

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
SCHEMBL1941059 0.91 KDR (0.49) KDRCCR2MEN1KMT2ANPC1
SCHEMBL1939963 0.91 CCR2 (0.50) KDRCCR2MEN1KMT2ANPC1
SCHEMBL1942432 0.89 KDR (0.64) KDRCCR2MEN1KMT2ANPC1
SCHEMBL1941172 0.88 PKM (0.52) KDRCCR2MEN1KMT2APOLB
SCHEMBL1941635 0.88 KDR (0.46) KDRCCR2MEN1KMT2ANPC1
SCHEMBL1940551 0.87 KDR (0.69) KDRMEN1KMT2ANPC1TSHR
SCHEMBL1941006 0.86 CCR2 (0.52) KDRCCR2MEN1KMT2ANPC1
SCHEMBL3931756 0.85 CCR2 (0.53) KDRCCR2MEN1KMT2ARAB9A
SCHEMBL3927477 0.84 CCR2 (0.46) KDRCCR2MEN1KMT2ATSHR
SCHEMBL1942611 0.83 NPC1 (0.49) KDRCCR2NPC1RAB9AMAPT

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-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 — — EP disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 — — US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — 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 (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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDR 12/4885CCR2 21/4885MEN1 3379/4885

“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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