Sugi Predict

Sugi Predict / Compounds / SCHEMBL3633060

SCHEMBL3633060

SCHEMBL3633060

CCC(C)(C)NC(=Nc1cccnc1)NC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 11/20 0.58
▸ KCNJ11 Q14654 11/20 0.58
▸ ABCC8 Q09428 6/20 0.58
▸ KCNJ8 Q15842 6/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NOS3 P29474 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ NOS2 P35228 2/20 0.43
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ IMPDH2 P12268 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL29516694 1.00 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL8747731 1.00 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL11168467 0.91 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL11152103 0.90 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL11153500 0.90 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL9463613 0.88 ABCC9 (0.49) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL11173834 0.84 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL9351758 0.84 ABCC9 (0.46) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL9351755 0.84 ABCC9 (0.46) ABCC9KCNJ11ABCC8KCNJ8CYP3A4
SCHEMBL11162617 0.82 ABCC9 (0.49) ABCC9KCNJ11ABCC8KCNJ8CYP3A4

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104280-A2 TOPICAL DELIVERY SYSTEMS FOR ACTIVE AGENTS Johnson & Johnson Consumer Companies, Inc. (US) 2001-06-06 — — EP claimed
EP-1060732-A2 Novel topical formulations comprising vesicle delivery systems JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 2000-12-20 — — EP claimed
WO-2000007627-A2 TOPICAL DELIVERY SYSTEMS FOR ACTIVE AGENTS JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2000-02-17 — — WO claimed
EP-0618798-B1 PYRIDYLGUANIDINE COMPOUNDS FOR TREATMENT OF ERECTILE DYSFUNCTION UPJOHN CO (US) 1997-03-12 — — EP claimed
US-5488059-A N-CYANO-N'-/1,1-DIMETHYLPROPYL/-N?-3-PYRIDINYLGUANIDINE THE UPJOHN COMPANY (US) 1996-01-30 — — US claimed
US-RE31244-E Antihypertensive pyridylguanidine compounds LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1983-05-17 — — US claimed
US-20230293594-A1 METHODS OF TREATING NEUROPSYCHIATRIC DISORDERS UNIV ROCHESTER (US) 2023-09-21 — — US disclosed
US-11690876-B2 Methods of treating neuropsychiatric disorders UNIVERSITY OF ROCHESTER (US) 2023-07-04 — — US disclosed
US-20230080520-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2023-03-16 — — US disclosed
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC 2021-07-08 — — US disclosed
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2020-12-10 — — US disclosed
US-10772934-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-09-15 — — US disclosed
US-20200197445-A1 METHODS OF TREATING NEUROPSYCHIATRIC DISORDERS UNIVERSITY OF ROCHESTER 2020-06-25 — — US disclosed
US-5525742-A IDENTIFICATION OF BIOCHEMICAL COMPONENTS FORMING ATP-SENSITIVE POTASSIUM CHANNELS IN SMOOTH MUSCLE CELLS THE UPJOHN COMPANY (US) 1996-06-11 — — US disclosed
US-5488059-A N-CYANO-N'-/1,1-DIMETHYLPROPYL/-N?-3-PYRIDINYLGUANIDINE THE UPJOHN COMPANY (US) 1996-01-30 — — US disclosed
US-5488059-A N-CYANO-N'-/1,1-DIMETHYLPROPYL/-N?-3-PYRIDINYLGUANIDINE THE UPJOHN COMPANY (US) 1996-01-30 — — US disclosed
WO-1994007478-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS THE UPJOHN COMPANY (US) 1994-04-14 — — WO disclosed
US-5244664-A Hair growth LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1993-09-14 — — US disclosed
WO-1993012788-A1 PYRIDYLGUANIDINE COMPOUNDS FOR TREATMENT OF ERECTILE DYSFUNCTION THE UPJOHN COMPANY (US) 1993-07-08 — — WO disclosed
US-RE31244-E Antihypertensive pyridylguanidine compounds LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1983-05-17 — — 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 (4 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-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR ABCC9 4238/4885KCNJ11 4792/4885ABCC8 3933/4885
US-20230080520-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR ABCC9 4238/4885KCNJ11 4792/4885ABCC8 3933/4885
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR ABCC9 4319/4885KCNJ11 4769/4885ABCC8 3789/4885
US-10772934-B2 Highly active polypeptides and methods of making and using the same SCTR, GIPR, APLNR ABCC9 4319/4885KCNJ11 4769/4885ABCC8 3789/4885

“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.