SCHEMBL3518913

SCHEMBL3518913

O=c1cc(SCc2ccccc2)ncn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.51
▸ RIN1 Q13671 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALOX12 P18054 1/20 0.44

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
SCHEMBL3525336 0.75 ADORA2A (0.51) SMN1; SMN2TSHRMAPK14TNFCYP11B1
SCHEMBL27663449 0.75 MAPK14 (0.48) SMN1; SMN2HPGDTSHRMAPK14TNF
SCHEMBL29044749 0.75 KDM4C (0.48) SMN1; SMN2TSHRMAPK14TNFCYP11B1
SCHEMBL3523300 0.75 GAA (0.50) SMN1; SMN2TSHRMAPK14TNFCYP11B1
SCHEMBL4478552 0.73 MAPK14 (0.52) SMN1; SMN2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL3521393 0.72 MAPK14 (0.58) SMN1; SMN2HPGDTSHRALDH1A1KMT2A
SCHEMBL11788419 0.72 PKM (0.45) SMN1; SMN2TSHRMAPK14TNFCYP11B1
SCHEMBL1529051 0.72 YTHDC1 (0.46) SMN1; SMN2TSHRMAPK14TNFCYP11B1
SCHEMBL3519801 0.71 ALDH1A1 (0.50) SMN1; SMN2HPGDNPC1TSHRRAB9A
SCHEMBL3522503 0.71 ALDH1A1 (0.50) SMN1; SMN2HPGDNPC1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 — — US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 — — US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 — — US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 — — US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 — — 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ABL1 75/4885RIN1 783/4885SMN1; SMN2 912/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ABL1 125/4885RIN1 750/4885SMN1; SMN2 746/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ABL1 75/4885RIN1 783/4885SMN1; SMN2 912/4885

“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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