SCHEMBL14477461

SCHEMBL14477461

O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
HTR2A P28223 6/20 0.55
HTR2C P28335 6/20 0.55
HTR2B P41595 4/20 0.53
RIPK1 Q13546 1/20 0.51
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
PPIA P62937 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 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
SCHEMBL11966501 0.84 KDR (0.52) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL12692652 0.83 HTR2C (0.50) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL2481583 0.83 HTR2A (0.64) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL2435834 0.82 PPIA (0.48) MAPTHTTPPIAMEN1KMT2A
SCHEMBL14458188 0.81 NPC1 (0.67) LMNAMAPTHTR2AHTR2CRIPK1
SCHEMBL4870653 0.81 PDK1 (0.61) LMNAMAPTPKMSMN1; SMN2PDK1
SCHEMBL3175847 0.80 HTR2C (0.63) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL8803891 0.80 PDK1 (0.56) PDK1PDK2PDK3PDK4NPC1
SCHEMBL14476382 0.79 HTR2A (0.55) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL14553225 0.79 HTR2A (0.57) LMNAHTR2AHTR2CHTR2BRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 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-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 LMNA 2744/4885MAPT 2302/4885HTR2A 3021/4885

“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.