SCHEMBL1695181

SCHEMBL1695181

C=C(C)NNc1ccc(C)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 6/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1695279 0.81 RAB9A (0.59) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL19121973 0.81 RAB9A (0.63) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL17320986 0.73 RAB9A (0.53) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL17320977 0.73 RAB9A (0.57) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL13354442 0.71
SCHEMBL25698333 0.71 RAB9A (0.50) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL21666863 0.71 RAB9A (0.59) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL25752898 0.70 RAB9A (0.50) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL423961 0.69 RAB9A (0.75) RAB9AMAPTNPC1PKMKDM4E
SCHEMBL22606759 0.69 RAB9A (0.58) RAB9AMAPTNPC1PKMKDM4E

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-8916708-B2 Urea derivatives and their therapeutic use in the treatment of, inter alia, diseases of the respiratory tract CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-23 US disclosed
US-8557797-B2 Triazolopyridine derivatives and their therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-15 US disclosed
US-20130143914-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-06 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 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 (2 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-20130143914-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT ARG2, MAPK1, URB2 RAB9A 1255/4885MAPT 3232/4885NPC1 3437/4885
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 RAB9A 1762/4885MAPT 4493/4885NPC1 4414/4885

“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.