SCHEMBL217941

SCHEMBL217941

C[C](C)Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
LIPE Q05469 8/20 0.45
THRB P10828 1/20 0.44
BCHE P06276 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL27906089 0.86 LMNA (0.54) TSHRSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL31387018 0.81 KMT2A (0.47) TSHRSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL9862017 0.80 LMNA (0.51) TSHRSMN1; SMN2LMNAKMT2ALIPE
SCHEMBL6634752 0.79 KMT2A (0.57) LMNAKMT2ALIPEBCHEMAPT
SCHEMBL10435427 0.79 RAB9A (0.50) TSHRSMN1; SMN2LMNAKMT2ALIPE
SCHEMBL706407 0.79 TSHR (0.63) TSHRSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL30980818 0.79 TSHR (0.63) TSHRSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL16202054 0.77 TSHR (0.47) TSHRSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL3370461 0.76 HPGD (0.67) TSHRSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL2737128 0.76 TSHR (0.51) TSHRSMN1; SMN2LMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 TSHR 1491/4885SMN1; SMN2 742/4885LMNA 912/4885

“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.