SCHEMBL4161950

SCHEMBL4161950

CN1CCC(CCCCn2cnc3cc(-c4nc5cc(F)ccc5[nH]4)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.44
HRH4 Q9H3N8 8/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TERT O14746 3/20 0.37
CDK9 P50750 2/20 0.37
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
DRD3 P35462 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL606027 0.93 CDK9 (0.43) PRPS1HRH4JAK2JAK1TERT
SCHEMBL12057245 0.91 PRPS1 (0.48) PRPS1CDK9
SCHEMBL605371 0.85 HRH4 (0.57) HRH4KCNH2
SCHEMBL4169750 0.84 CDK9 (0.43) PRPS1CDK9
SCHEMBL604696 0.83 HRH4 (0.49) HRH4TERT
SCHEMBL605460 0.83 HRH4 (0.56) HRH4KCNH2
SCHEMBL604094 0.83 HRH4 (0.44) PRPS1HRH4JAK2JAK1CDK9
SCHEMBL606701 0.82 HRH4 (0.52) HRH4PARP1
SCHEMBL605587 0.79 HRH4 (0.57) PRPS1HRH4CDK9KCNH2
SCHEMBL3476731 0.77 HRH4 (0.49) HRH4JAK2JAK1CDK9DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 US claimed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 US claimed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 US disclosed
US-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 US disclosed
US-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 US disclosed
WO-2009079001-A1 BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 US disclosed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 US disclosed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 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 (3 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS PRPS1 2710/4885HRH4 1308/4885JAK2 871/4885
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor HRH4, HRH3, HRH1 PRPS1 3948/4885HRH4 1/4885JAK2 929/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS PRPS1 2185/4885HRH4 3260/4885JAK2 2477/4885

“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.