SCHEMBL2117232

SCHEMBL2117232

O=[N+]([O-])c1[c]c2ccccc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPD1 P10809 1/20 0.47
▸ HSPE1 P61604 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ P2RX4 Q99571 2/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ CFTR P13569 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ AR P10275 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL10399302 0.72 CYP19A1 (0.48) KMT2AMEN1P2RX4CYP19A1MAPT
SCHEMBL2115649 0.72 CYP19A1 (0.48) KMT2AMEN1P2RX4CYP19A1MAPT
SCHEMBL5622614 0.72 CYP19A1 (0.48) KMT2AMEN1P2RX4CYP19A1SMN1; SMN2
SCHEMBL8356648 0.70 CYP19A1 (0.46) KMT2AMEN1P2RX4CYP19A1SMN1; SMN2
SCHEMBL2117558 0.69 CYP19A1 (0.44) KMT2AMEN1P2RX4CYP19A1CFTR
SCHEMBL18197991 0.66 MAPT (0.43) HSPD1HSPE1KMT2AMEN1P2RX4
SCHEMBL1149940 0.65 KMT2A (0.70) HSPD1HSPE1KMT2AMEN1P2RX4
SCHEMBL15062740 0.65 TNF (0.50) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL16386210 0.65 ALDH1A1 (0.45) HSPD1HSPE1KMT2AMEN1P2RX4
SCHEMBL16386212 0.65 AR (0.46) HSPD1HSPE1KMT2AMEN1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 — — US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 — — US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 — — 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST HSPD1 2726/4885HSPE1 2810/4885KMT2A 3104/4885

“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.

Send feedback