SCHEMBL1135840

SCHEMBL1135840

N=C(N)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ CCR3 P51677 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ RIN1 Q13671 1/20 0.54
▸ DRD2 P14416 2/20 0.53
▸ DRD4 P21917 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CXCR4 P61073 1/20 0.53

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
Hydrochloric Acid SCHEMBL310978 0.98 MEN1 (0.56) MEN1TSHRKMT2AACHECCR3
SCHEMBL19385016 0.90 S1PR5 (0.54) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL19385069 0.89 S1PR5 (0.53) MEN1TSHRKMT2AACHECCR3
SCHEMBL5501378 0.83 KMT2A (0.57) MEN1TSHRKMT2AACHECCR3
SCHEMBL518686 0.83 NPC1 (0.71) MEN1TSHRKMT2AABL1RIN1
SCHEMBL19450826 0.83 MEN1 (0.51) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL5712502 0.82 NPC1 (0.70) MEN1TSHRKMT2AABL1RIN1
SCHEMBL6749048 0.80 ACHE (0.57) MEN1TSHRKMT2AACHECCR3
SCHEMBL4202978 0.80 SIGMAR1 (0.65) KMT2AACHESIGMAR1MAPK1DRD2
SCHEMBL1519223 0.79 MEN1 (0.69) MEN1TSHRKMT2AACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 — — CN disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 — — US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 — — US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 — — US disclosed
WO-2011148922-A1 NOVEL QUINAZOLINE COMPOUND 田辺三菱製薬株式会社 (JP) 2011-12-01 — — WO disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 — — CN disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
EP-1954696-A2 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Bristol-Myers Squibb Company (US) 2008-08-13 — — EP disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 — — WO disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 — — WO disclosed
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-03 — — US disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 — — 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 (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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 MEN1 2322/4885TSHR 1272/4885KMT2A 4066/4885
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 MEN1 2322/4885TSHR 1272/4885KMT2A 4066/4885

“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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