SCHEMBL718397

SCHEMBL718397

COc1ccc2ncn(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 1/20 0.59
MAPK10 P53779 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
DYRK1A Q13627 2/20 0.49
FGFR1 P11362 5/20 0.47
MMP12 P39900 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL30605654 1.00 ALDH1A1 (0.59) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL230452 0.85 FGFR1 (0.59) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL14805907 0.81 DYRK1A (0.45) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL19848089 0.80 ALDH1A1 (0.58) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL19756736 0.80 DYRK1A (0.44) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL19848392 0.79 ALDH1A1 (0.56) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL19911346 0.78 MTNR1A (0.64) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL9707233 0.78 KMT2A (0.57) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL2981473 0.78 CYP1A1 (0.50) ALDH1A1HPGDMAPK1KMT2AKDM4E
SCHEMBL2981476 0.78 CYP1A1 (0.50) ALDH1A1HPGDMAPK1KMT2AKDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630536-B2 Cyanotriazine derivative, preparation method therefor, and application thereof CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2026-05-19 US disclosed
CN-117126143-A Method for synthesizing (tetrahydrofuran-2-yl) heteroaromatic compound 苏州大学 2023-11-28 CN disclosed
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
EP-4201927-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Chengdu Fanxi Biopharma Co., Ltd. (CN) 2023-06-28 EP disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (8 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885HTT 1337/4885HPGD 486/4885
US-12630536-B2 Cyanotriazine derivative, preparation method therefor, and application thereof THRB, SLC10A1, THRA ALDH1A1 1905/4885HTT 304/4885HPGD 3613/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ALDH1A1 2837/4885HTT 4778/4885HPGD 1233/4885
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF THRB, SLC5A1, SLC10A1 ALDH1A1 2753/4885HTT 729/4885HPGD 2014/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885HTT 1337/4885HPGD 486/4885
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 ALDH1A1 3497/4885HTT 1107/4885HPGD 2179/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ALDH1A1 2837/4885HTT 4778/4885HPGD 1233/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 ALDH1A1 3497/4885HTT 1107/4885HPGD 2179/4885

“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.