Sugi Predict

Sugi Predict / Compounds / SCHEMBL6349902

SCHEMBL6349902

SCHEMBL6349902

NC(=O)c1n[nH]c2cnccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 1/20 0.43
▸ KDM5A P29375 6/20 0.40
▸ PIM1 P11309 4/20 0.39
▸ PARP1 P09874 2/20 0.37
▸ SIRT3 Q9NTG7 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM5C P41229 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ SARM1 Q6SZW1 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ SIRT4 Q9Y6E7 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
SCHEMBL3985168 0.89 MAP2 (0.46) MAP2KDM5APIM1PARP1SIRT3
SCHEMBL29958456 0.79 DYRK1A (0.42) MAP2PIM1SIRT3TDP1WNT1
SCHEMBL1962245 0.79 CYP1A2 (0.54) KDM4EALDH1A1IDO1SMN1; SMN2CSNK2A1
SCHEMBL12480678 0.79 DYRK1A (0.42) MAP2PIM1SIRT3TDP1WNT1
Hydrochloric Acid SCHEMBL30645338 0.78 DYRK1A (0.41) MAP2PIM1SIRT3TDP1WNT1
SCHEMBL492092 0.77 PRKAG1 (0.42) MAP2KDM5APARP1TDP1KDM4E
SCHEMBL13836753 0.76 KDM4E (0.41) KDM5APIM1PARP1WNT1DYRK1A
SCHEMBL16517477 0.72 KDM4E (0.65) PARP1DYRK1AKDM4ECHUKALDH1A1
SCHEMBL6343173 0.72 ALDH1A1 (0.46) MAP2KDM5ASIRT3TDP1DYRK1A
SCHEMBL6338427 0.72 CAMKK2 (0.43) PARP1SIRT3F7F3SARM1

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-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 — — US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 — — US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 — — US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 — — US disclosed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 — — EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 — — US disclosed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 — — 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 (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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MAP2 2362/4885KDM5A 540/4885PIM1 589/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MAP2 2362/4885KDM5A 540/4885PIM1 589/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MAP2 2362/4885KDM5A 540/4885PIM1 589/4885

“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.