Sugi Predict

Sugi Predict / Compounds / SCHEMBL5758060

SCHEMBL5758060

SCHEMBL5758060

Cc1cc(N)nc(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 8/20 0.48
▸ NOS3 P29474 7/20 0.48
▸ NOS1 P29475 6/20 0.48
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ PRMT5 O14744 1/20 0.39
▸ REN P00797 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ TERT O14746 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
SCHEMBL3673476 0.79 NOS2 (0.48) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL29512854 0.79 ALDH1A1 (0.43) NOS2NOS3NOS1ALDH1A1TP53
SCHEMBL2955353 0.79 TDP1 (0.43) NOS2NOS3NOS1ALDH1A1TP53
SCHEMBL9511107 0.79 NOS2 (0.42) NOS2NOS3NOS1BACE1TERT
SCHEMBL5844082 0.79 ALDH1A1 (0.43) NOS2NOS3NOS1ALDH1A1TP53
SCHEMBL1143077 0.75 NOS2 (0.44) NOS2NOS3NOS1ALDH1A1CYP3A4
SCHEMBL19202623 0.75 CYP3A4 (0.40) NOS2NOS3NOS1ALDH1A1TP53
SCHEMBL19203178 0.75 ALDH1A1 (0.40) NOS2NOS3NOS1ALDH1A1TP53
SCHEMBL21287461 0.75 NOS2 (0.44) NOS2NOS3NOS1ALDH1A1CYP3A4
SCHEMBL21632441 0.75 NOS2 (0.44) NOS2NOS3NOS1BACE1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 — — US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 — — US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 — — US disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 — — US disclosed
EP-1349535-B1 INDOLE/INDOLINE BASED HYBRID DYES AND INDOLE/INDOLINE BASED HYBRID DYE INTERMEDIATE PRODUCTS HENKEL KGAA (DE) 2006-11-02 — — EP disclosed
US-6736862-B2 DYEING KERATIN FIBERS; HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-05-18 — — US disclosed
US-20040006834-A1 Indole/indoline based hybrid dyes and indole/indoline based hybrid dye intermediate products HENKEL AG & CO. KGAA (DE) 2004-01-15 — — US disclosed
EP-0467715-A1 Microbial transformation process for antihypertensive products MERCK & CO. INC. (US) 1992-01-22 — — EP disclosed
EP-0456510-A1 Antihypertensive products, a process for their preparation and pharamaceutical compositions containing them MERCK & CO. INC. (US) 1991-11-13 — — EP disclosed
US-5057522-A Hypotensive agents MERCK & CO., INC. (US) 1991-10-15 — — US disclosed
US-5049565-A Biosynthesis of angiotensin antagonist MERCK & CO., INC. (US) 1991-09-17 — — US disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 — — US disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 — — EP disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 — — US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 — — US disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 — — 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 (6 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-20040006834-A1 Indole/indoline based hybrid dyes and indole/indoline based hybrid dye intermediate products KRT18, TYR, IDO1 NOS2 1234/4885NOS3 1376/4885NOS1 1538/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885

“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.