SCHEMBL2115649

SCHEMBL2115649

Fc1[c]c2ccccc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
P2RX4 Q99571 1/20 0.43
MIF P14174 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNF P01375 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SRC P12931 1/20 0.39
CCR2 P41597 1/20 0.38

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 0.79 CYP19A1 (0.48) CYP19A1SMN1; SMN2LMNAP2RX4KDM4E
SCHEMBL5622614 0.79 CYP19A1 (0.48) CYP19A1SMN1; SMN2LMNAP2RX4MIF
SCHEMBL8356648 0.76 CYP19A1 (0.46) CYP19A1SMN1; SMN2LMNAP2RX4MIF
SCHEMBL2117558 0.75 CYP19A1 (0.44) CYP19A1SMN1; SMN2LMNAP2RX4MIF
SCHEMBL2117232 0.72 HSPD1 (0.47) CYP19A1SMN1; SMN2LMNAP2RX4MIF
SCHEMBL15062740 0.70 TNF (0.50) SMN1; SMN2LMNAKDM4EPKMTNF
SCHEMBL3073048 0.69 P2RX4 (0.51) SMN1; SMN2LMNAP2RX4KDM4EMEN1
SCHEMBL15062667 0.68 DRD2 (0.45) SMN1; SMN2LMNAPKMTNFALDH1A1
SCHEMBL3093503 0.68 P2RX4 (0.40) CYP19A1SMN1; SMN2LMNAP2RX4TNF
SCHEMBL3088034 0.68 P2RX4 (0.50) SMN1; SMN2LMNAP2RX4KDM4EMEN1

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 CYP19A1 3031/4885SMN1; SMN2 4842/4885LMNA 4884/4885

“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.