SCHEMBL3607142

SCHEMBL3607142

FC(F)(F)c1cccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.61
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
FLT1 P17948 2/20 0.48
KDR P35968 2/20 0.48
PHGDH O43175 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
HPGD P15428 1/20 0.48
SGPL1 O95470 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL20431439 0.93 SMO (0.58) SMONPSR1MEN1HTTKMT2A
SCHEMBL3603718 0.85 SMO (0.84) SMONPSR1MEN1HTTKMT2A
SCHEMBL3604402 0.84 SMO (0.77) SMONPSR1MEN1HTTKMT2A
SCHEMBL3607225 0.83 SMO (0.76) SMONPSR1MEN1HTTKMT2A
SCHEMBL3608767 0.81 SMO (0.62) SMONPSR1MEN1HTTKMT2A
SCHEMBL3604149 0.80 SMO (0.64) SMONPSR1MEN1HTTKMT2A
SCHEMBL3600835 0.80 SMO (0.84) SMONPSR1MEN1HTTKMT2A
SCHEMBL3603164 0.80 SMO (0.67) SMONPSR1MEN1HTTKMT2A
SCHEMBL13444952 0.77 SMO (1.00) SMONPSR1MEN1HTTKMT2A
SCHEMBL12786176 0.77 MEN1 (0.55) NPSR1MEN1HTTKMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US claimed
CN-101657430-B Organic compounds and uses thereof NOVARTIS AG CH 2013-05-01 CN claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US claimed
CN-101657430-A Organic compounds and uses thereof NOVARTIS AG CH 2010-02-24 CN claimed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP claimed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO claimed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 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 (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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SMO 5/4885NPSR1 4096/4885MEN1 162/4885

“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.