SCHEMBL16640309

SCHEMBL16640309

O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.65
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
MGLL Q99685 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMPD1 P17405 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL16640299 0.91 MALT1 (0.58) PTGS2MEN1KMT2AMAPTMGLL
SCHEMBL15004248 0.90 MALT1 (0.57) PTGS2MEN1KMT2AMAPTMGLL
SCHEMBL16640298 0.90 MALT1 (0.57) PTGS2MEN1KMT2AMAPTMGLL
SCHEMBL15004250 0.88 MGLL (0.59) PTGS2MEN1KMT2AMAPTMGLL
SCHEMBL3103035 0.86 PTGS2 (0.80) PTGS2MEN1KMT2AMAPT
SCHEMBL16640308 0.86 KDM1A (0.51) PTGS2MEN1KMT2AMAPTMGLL
SCHEMBL16640306 0.80 PTGS2 (0.65) PTGS2MGLLNPC1RAB9A
SCHEMBL28292886 0.79 PTGS2 (1.00) PTGS2MEN1KMT2AMAPT
SCHEMBL16883638 0.79 OPRK1 (0.44) PTGS2MEN1KMT2AMAPTMGLL
SCHEMBL14995598 0.78 MGLL (0.50) PTGS2MEN1KMT2AMAPTMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 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 (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-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF PAICS, AADAC, TPMT PTGS2 3350/4885MEN1 2710/4885KMT2A 621/4885

“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.