SCHEMBL17356977

SCHEMBL17356977

N=C(NCc1ccc(C(F)(F)F)cc1)NC(=N)N1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.38
▸ LSS P48449 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ P2RX7 Q99572 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
SCHEMBL17356938 0.91 MTOR (0.39) TEAD1LSSKCNH2HRH3IDO1
SCHEMBL17356978 0.86 MLYCD (0.41) TEAD1HRH3
SCHEMBL17356975 0.85 HRH3 (0.39) HRH3NAMPTBCHEACHEBACE1
SCHEMBL14703466 0.84 KCNH2 (0.45) TEAD1LSSKCNH2HRH3NAMPT
SCHEMBL14703438 0.84 KCNH2 (0.42) TEAD1LSSKCNH2HRH3NAMPT
SCHEMBL14703143 0.83 KDM4E (0.46) TEAD1LSSKCNH2HRH3NAMPT
SCHEMBL17356979 0.82 P2RX7 (0.44) IDO1P2RX7
SCHEMBL17356951 0.81 NPC1 (0.42) NAMPT
SCHEMBL17777459 0.81 CHKA (0.44) TEAD1LSSKCNH2HRH3NAMPT
SCHEMBL17777599 0.79 TEAD1 (0.43) TEAD1LSSKCNH2HRH3BCHE

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
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2019-04-09 — — US disclosed
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KP) 2018-04-19 — — US disclosed
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KP) 2018-04-19 — — US disclosed
US-9884821-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2018-02-06 — — US disclosed
US-9884821-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2018-02-06 — — US disclosed
US-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same IMMUNOMET THERAPEUTICS INC. 2015-12-24 — — US disclosed
US-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same IMMUNOMET THERAPEUTICS INC. 2015-12-24 — — 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-20150368198-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same PRKG1, PRKAG1, PRKG2 TEAD1 2421/4885LSS 4845/4885KCNH2 997/4885
US-10252996-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same PRKG1, PRKAG1, PRKG2 TEAD1 2421/4885LSS 4845/4885KCNH2 997/4885
US-20180105494-A1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PRKG1, PRKAG1, PRKG2 TEAD1 2421/4885LSS 4845/4885KCNH2 997/4885

“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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