SCHEMBL10071130

SCHEMBL10071130

N=C(N)c1nn(CCC(F)(F)C(F)(F)F)c2ncc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 8/20 0.39
GUCY1B1 Q02153 8/20 0.39
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31

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
Acetic Acid SCHEMBL15065428 0.94 GUCY1A1 (0.43) GUCY1A1GUCY1B1
SCHEMBL15633063 0.87 GUCY1A1 (0.38) GUCY1A1GUCY1B1GUCY1B2GUCY1A2
SCHEMBL25975320 0.83 GUCY1A1 (0.41) GUCY1A1GUCY1B1GUCY1B2GUCY1A2
SCHEMBL326955 0.81 GUCY1A1 (0.39) GUCY1A1GUCY1B1
SCHEMBL10071129 0.81 GUCY1A1 (0.42) GUCY1A1GUCY1B1
SCHEMBL25977708 0.81 GUCY1A1 (0.39) GUCY1A1GUCY1B1GUCY1B2GUCY1A2
Hydrochloric Acid SCHEMBL20140172 0.80 GUCY1A1 (0.41) GUCY1A1GUCY1B1
SCHEMBL326986 0.79 GUCY1A1 (0.38) GUCY1A1GUCY1B1GUCY1B2GUCY1A2
SCHEMBL19158836 0.79 SPR (0.42) GUCY1A1GUCY1B1GUCY1B2GUCY1A2
SCHEMBL15944481 0.78 GRIN1 (0.34)

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-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 US disclosed
EP-2699578-B1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2016-04-20 EP disclosed
EP-2590987-B1 CONDENSED 4-AMINOPYRIMIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2016-03-09 EP disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 US disclosed
US-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 US disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
WO-2012004259-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 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 (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-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES GUCY1B1, GUCY1A2, GUCY1B2 GUCY1A1 4/4885GUCY1B1 1/4885GUCY1B2 3/4885
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF TYMP, TYMS, DPYD GUCY1A1 2940/4885GUCY1B1 2239/4885GUCY1B2 1886/4885

“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.