SCHEMBL9901661

SCHEMBL9901661

N=C(NNc1ccccc1Cl)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
P2RX7 Q99572 1/20 0.41
CRHR1 P34998 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL10475404 0.76 GAA (0.51) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL10475124 0.76 POLB (0.50) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL19568160 0.72 CRHR1 (0.51) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL20984777 0.67 KDM4E (0.59) KMT2AMEN1SMN1; SMN2HTTP2RX7
SCHEMBL9462103 0.67 CRHR1 (0.54) MAPK1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL8663534 0.67 LMNA (0.53) KMT2AMEN1TSHRLMNAP2RX7
SCHEMBL31482338 0.67 LMNA (0.53) KMT2AMEN1TSHRLMNAP2RX7
SCHEMBL29448068 0.66 MAPK1 (0.59) MAPK1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL28634765 0.66 MAPK1 (0.59) MAPK1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL11920926 0.66 RAB9A (0.79) MAPK1KMT2AMEN1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
EP-2649063-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2013-10-16 EP disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 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-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 MAPK1 150/4885KMT2A 4303/4885MEN1 3568/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 MAPK1 160/4885KMT2A 4340/4885MEN1 3519/4885

“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.