SCHEMBL16752913

SCHEMBL16752913

COc1cc(N2CCN(C(=O)O)C(C(C)(C)C)C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
TRPC6 Q9Y210 3/20 0.39
NR1H2 P55055 4/20 0.38
CHRM4 P08173 3/20 0.38
NR1H3 Q13133 3/20 0.38
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
DYRK1A Q13627 1/20 0.37
CCR1 P32246 3/20 0.37
HSD11B1 P28845 2/20 0.36

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
SCHEMBL16752883 0.87 NR1H2 (0.36) SLC6A9NR1H2CHRM4NR1H3
SCHEMBL15970130 0.87 IP6K1 (0.39) SLC6A9NR1H2NR1H3
SCHEMBL28036149 0.86 SLC6A9 (0.40) SLC6A9TRPC6NR1H2CHRM4NR1H3
SCHEMBL16752888 0.84 NR1H2 (0.39) NR1H2CHRM4NR1H3
SCHEMBL3503419 0.83 SIRT6 (0.57)
SCHEMBL2442056 0.81 SLC6A9 (0.36) SLC6A9TRPC6NR1H2CHRM4NR1H3
SCHEMBL28036150 0.81 HTR1A (0.48)
SCHEMBL16371697 0.80 GFER (0.47) SLC6A9NR1H2CTSBCTSSCTSK
SCHEMBL11294977 0.79 CCR1 (0.46) TRPC6CCR1
SCHEMBL15924272 0.78 MAPT (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136614-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY MAGICBULLETTHERAPEUTICS CO., LTD. (KR) 2025-05-01 US disclosed
EP-4442691-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY Magicbullettherapeutics Co., Ltd. (KR) 2024-10-09 EP disclosed
WO-2023140629-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY 닥터아이앤비(주) 2023-07-27 WO disclosed
WO-2023101387-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY 연세대학교 산학협력단 2023-06-08 WO disclosed
EP-2883875-B1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2016-12-28 EP disclosed
CN-105384694-A Substituted aminopyrimidine derivative, preparation method therefor and pharmaceutical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed
US-9199944-B2 N2,N4-bis(4-(piperazine-1-yl)phenyl)pirimidine-2,4-diamine derivative or pharmaceutically acceptable salt thereof, and composition containing same as active ingredient for preventing or treating cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-12-01 US disclosed
EP-2883875-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER Korea Reserach Institute Of Chemical Technology (KR) 2015-06-17 EP disclosed
US-20150152069-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER PINOTBIO, INC. (KR) 2015-06-04 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 (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-20250136614-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY STK25, MAP3K15, MAP3K5 SLC6A9 4358/4885TRPC6 1326/4885NR1H2 4271/4885
US-20150152069-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER TNK2, NPM1, NEK4 SLC6A9 3818/4885TRPC6 1776/4885NR1H2 3706/4885

“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.