SCHEMBL17429456

SCHEMBL17429456

Cc1cc(F)c2c(C(=O)C(F)(F)F)c[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ NR4A2 P43354 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ PIM3 Q86V86 1/20 0.35
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DHODH Q02127 2/20 0.32

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
SCHEMBL17429455 0.83 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17429798 0.81 MAPK1 (0.42) MAPK1NR4A2HTR1DHTR1BPRKAB2
SCHEMBL2040347 0.75 MAPK1 (0.59) MAPK1NR4A2HTR1DHTR1BPIM3
SCHEMBL2643312 0.74 MAPK1 (0.62) MAPK1NR4A2PIM3PRKAB2PRKAG1
SCHEMBL17429452 0.73 MAPK1 (0.53) MAPK1NR4A2PIM3PRKAB2PRKAG1
SCHEMBL17429454 0.71 MAPK1 (0.58) MAPK1PIM3PRKAB2PRKAG1PRKAA2
SCHEMBL18520715 0.71 KDM4E (0.37) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29051448 0.71 MAPK1 (0.58) MAPK1NR4A2HTR1DHTR1BPIM3
SCHEMBL4234251 0.71 MAPK1 (0.62) MAPK1NR4A2PIM3KDM4EHSD17B10
SCHEMBL6872059 0.70 MAPK1 (0.42) MAPK1NR4A2HTR1DHTR1BPIM3

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
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 — — US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 — — US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 — — 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-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 MAPK1 3255/4885NR4A2 638/4885HTR1D 382/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 MAPK1 2945/4885NR4A2 358/4885HTR1D 369/4885

“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.

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