Sugi Predict

Sugi Predict / Compounds / SCHEMBL14734692

SCHEMBL14734692

SCHEMBL14734692

Cc1cc(NCC2(c3ccccn3)CC(F)C2)nnc1-c1cccc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ CLK4 Q9HAZ1 6/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL14991166 0.83 DHODH (0.35) CHRM1ACHE
SCHEMBL12287988 0.78 KCNH2 (0.44) GABRG2GABRB3GABRA5GABRA3ADORA2A
SCHEMBL14990312 0.76 OPRM1 (0.34) CHRM1
SCHEMBL14990742 0.74 GSK3B (0.36) ALDH1A1CHRM1DYRK1ALMNA
SCHEMBL14991073 0.73 KCNH2 (0.36) CYP3A4CHRM1
SCHEMBL14991406 0.73 KDM4E (0.34) CHRM1
SCHEMBL14990994 0.73 OPRM1 (0.32) CHRM1
SCHEMBL2562022 0.73 CYP1A2 (0.38) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL14998247 0.73 CYP1A2 (0.38) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL12288163 0.73 CYP1A2 (0.38) GABRG2GABRB3GABRA5GABRA3CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563365-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2016-04-20 — — EP claimed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 — — US claimed
US-9604965-B2 Substituted pyridazines as skeletal muscle modulators CYTOKINETICS, INC. (US) 2017-03-28 — — US disclosed
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2015-11-12 — — US disclosed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 — — US disclosed
US-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. 2013-06-06 — — US disclosed
EP-2563365-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE Cytokinetics, Inc. (US) 2013-03-06 — — EP 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-20130143862-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE SLC7A1, F12, C5 GABRG2 1717/4885GABRB3 2975/4885GABRA5 669/4885
US-20150322018-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, F12, C5 GABRG2 1750/4885GABRB3 3036/4885GABRA5 697/4885

“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.