SCHEMBL16355263

SCHEMBL16355263

Cc1ccnc(C(F)(F)F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HTT P42858 5/20 0.40
MAPT P10636 4/20 0.40
NCOA1 Q15788 3/20 0.40
NCOA3 Q9Y6Q9 3/20 0.40
POLB P06746 2/20 0.40
HIF1A Q16665 1/20 0.40
XBP1 P17861 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
GAA P10253 3/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL18195530 0.83 ALDH1A1 (0.37) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL27158634 0.75 SMN1; SMN2 (0.40) LMNASMN1; SMN2HTTMAPTPOLB
SCHEMBL3559919 0.74 ALDH1A1 (0.40) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL28257885 0.74 NOS2 (0.46) LMNASMN1; SMN2HTTMAPTKDM4E
SCHEMBL30751791 0.74 ALDH1A1 (0.40) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL24146604 0.74 KMT2A (0.33) LMNASMN1; SMN2HTTMAPTNCOA1
SCHEMBL15849385 0.72 NOS2 (0.40) LMNASMN1; SMN2HTTMAPTKDM4E
SCHEMBL15691383 0.72 ALDH1A1 (0.39) LMNASMN1; SMN2POLBKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL28593822 0.72 NOS3 (0.45) LMNASMN1; SMN2HTTMAPTKDM4E
SCHEMBL677194 0.71 L3MBTL1 (0.45) LMNASMN1; SMN2HTTMAPTPOLB

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-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 US disclosed
US-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 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-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 LMNA 1206/4885SMN1; SMN2 4824/4885HTT 4557/4885

“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.