SCHEMBL17044397

SCHEMBL17044397

N=C(N)NN=Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.60
NPFFR1 Q9GZQ6 2/20 0.60
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.41
KDR P35968 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL17044396 1.00 NPFFR2 (0.60) NPFFR2NPFFR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL5703221 0.99 NPFFR2 (0.61) NPFFR2NPFFR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL5703225 0.99 NPFFR2 (0.61) NPFFR2NPFFR1HTR3EHTR3BHTR3A
SCHEMBL16993676 0.84 LMNA (0.44) NPFFR2NPFFR1ALDH1A1LMNARECQL
SCHEMBL16993675 0.84 LMNA (0.44) NPFFR2NPFFR1ALDH1A1LMNARECQL
Hydrochloric Acid SCHEMBL6510408 0.83 LMNA (0.43) NPFFR2NPFFR1ALDH1A1LMNARECQL
Hydrochloric Acid SCHEMBL6510411 0.83 LMNA (0.43) NPFFR2NPFFR1ALDH1A1LMNARECQL
SCHEMBL17044425 0.83 LMNA (0.46) NPFFR2NPFFR1ALDH1A1LMNARECQL
SCHEMBL17044426 0.83 LMNA (0.46) NPFFR2NPFFR1ALDH1A1LMNARECQL
SCHEMBL7747051 0.82 KMT2A (0.54) NPFFR2ALDH1A1LMNAKDM4EPOLB

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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 NPFFR2 13/4885NPFFR1 17/4885HTR3E 195/4885

“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.