SCHEMBL9901664

SCHEMBL9901664

Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
FTO Q9C0B1 1/20 0.43
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLOD2 O00469 1/20 0.42

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
SCHEMBL9902711 0.79 NAMPT (0.45) CYP3A4CYP2C19KDM4EALDH1A1LMNA
SCHEMBL30508918 0.77 PLOD2 (0.47) GAACYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL17536204 0.75 TRPV1 (0.42) CYP3A4CYP2C19KMT2AKDM4EMAPT
SCHEMBL5361880 0.72 HDAC1 (0.74) GAACYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL433546 0.72 RAB9A (0.46) GAACYP2C19ALDH1A1LMNASMN1; SMN2
SCHEMBL1841864 0.72 ALDH1A1 (0.44) GAACYP3A4CYP2C19KMT2AKDM4E
SCHEMBL18136526 0.70 HDAC1 (0.65) GAACYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL22341320 0.70 FTO (0.67) GAACYP3A4CYP2C19KMT2AKDM4E
SCHEMBL20604093 0.69 WNT3A (0.59) MAPTLMNASMN1; SMN2TP53
SCHEMBL13381489 0.69 KMT2A (0.68) GAACYP3A4CYP2C19KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648518-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-10-16 EP disclosed
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-09-26 US disclosed
WO-2012076704-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 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 (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-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests RTN3, RRS1, RTF1 GAA 4817/4885CYP3A4 630/4885CYP2C19 1034/4885

“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.