SCHEMBL13830263

SCHEMBL13830263

c1cncc(-c2nnc(-c3cccnc3)nn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
TP53 P04637 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KDM4E B2RXH2 2/20 1.00
MAPT P10636 2/20 1.00
HPGD P15428 2/20 1.00
HSD17B10 Q99714 2/20 1.00
LMNA P02545 1/20 1.00
ALOX15 P16050 1/20 1.00
HTT P42858 1/20 1.00
CYP2A6 P11509 7/20 0.70
CYP3A4 P08684 2/20 0.70
CYP1A2 P05177 1/20 0.70
CHRNB2 P17787 2/20 0.55
CHRNA5 P30532 2/20 0.55
CHRNA4 P43681 2/20 0.55
CYP19A1 P11511 1/20 0.53
METAP2 P50579 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
NPC1 O15118 4/20 0.52

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
SCHEMBL29384483 1.00 ALDH1A1 (1.00) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL15748172 0.89 ALDH1A1 (0.79) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL29444134 0.89 ALDH1A1 (0.79) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL15741152 0.86 ALDH1A1 (0.75) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL29543568 0.84 SMN1; SMN2 (0.73) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL5032444 0.84 SMN1; SMN2 (0.73) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL29419014 0.83 CYP2A6 (1.00) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL30473120 0.83 CYP2A6 (1.00) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL120088 0.83 CYP2A6 (1.00) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL17301556 0.82 CYP2A6 (0.70) ALDH1A1TP53SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026097860-A1 RUBBER COMPOSITION AND PREPARATION METHOD THEREFOR, AND OTR ENGINEERING TIRE USING SAME 大冢材料科技(上海)有限公司 2026-05-15 WO claimed
WO-2026097863-A1 RUBBER COMPOSITION, PREPARATION METHOD THEREFOR, AND TBR TIRE USING SAME 大冢材料科技(上海)有限公司 2026-05-15 WO claimed
US-20210388187-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING SURFACE-FUNCTIONALIZED CARBON NANOTUBES IN COMBINATION WITH TETRAZINE MODIFIED ELASTOMER THE GOODYEAR TIRE & RUBBER COMPANY 2021-12-16 US claimed
US-20210388188-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING TETRAZINE MODIFIED ELASTOMER AND ZINC COMPLEX COMPOUND THE GOODYEAR TIRE & RUBBER COMPANY 2021-12-16 US claimed
EP-3922484-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING SURFACE-FUNCTIONALIZED CARBON BLACK AND TETRAZINE MODIFIED ELASTOMER The Goodyear Tire & Rubber Company (US) 2021-12-15 EP claimed
EP-3922483-A1 PNEUMATIC TIRE AND RUBBER COMPOSITION INCLUDING TETRAZINE MODIFIED ELASTOMER AND ZINC COMPLEX COMPOUND The Goodyear Tire & Rubber Company (US) 2021-12-15 EP claimed
WO-2026097863-A1 RUBBER COMPOSITION, PREPARATION METHOD THEREFOR, AND TBR TIRE USING SAME 大冢材料科技(上海)有限公司 2026-05-15 WO disclosed
WO-2026097860-A1 RUBBER COMPOSITION AND PREPARATION METHOD THEREFOR, AND OTR ENGINEERING TIRE USING SAME 大冢材料科技(上海)有限公司 2026-05-15 WO disclosed
US-12617927-B2 Method for cleaving coordinate bond of complex polymer BRIDGESTONE CORPORATION (JP) 2026-05-05 US disclosed
US-20250188248-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-06-12 US disclosed
US-20250145798-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-05-08 US disclosed
EP-4488323-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-01-08 EP disclosed
EP-4488324-A1 RUBBER COMPOSITION AND RUBBER PRODUCT BRIDGESTONE CORPORATION (JP) 2025-01-08 EP disclosed
US-20150225438-A1 SUPRAMETALLOGELS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2015-08-13 US disclosed
WO-2014081303-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081301-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081300-A1 CHANNEL PROTEIN ACTIVATABLE LIPOSOMES TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2014081299-A1 ACTIVATABLE LIPOSOMES TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed
WO-2012156920-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 WO disclosed
WO-2012153254-A1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-15 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 (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-20150225438-A1 SUPRAMETALLOGELS AND USES THEREOF PDCD1LG2, PDCD2L, PYGL ALDH1A1 912/4885TP53 249/4885SMN1; SMN2 699/4885
US-12617927-B2 Method for cleaving coordinate bond of complex polymer SPOP, RNF5, RNF168 ALDH1A1 4612/4885TP53 2215/4885SMN1; SMN2 1627/4885

“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.