SCHEMBL26123734

SCHEMBL26123734

COc1ccc(-c2cnn(C)c2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ TTK P33981 5/20 0.49
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ INCENP Q9NQS7 1/20 0.49
▸ PLAU P00749 1/20 0.48
▸ ERN1 O75460 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ FYN P06241 1/20 0.46
▸ NTRK1 P04629 2/20 0.45
▸ CSF1R P07333 2/20 0.45
▸ NTRK2 Q16620 2/20 0.45
▸ NTRK3 Q16288 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12492042 0.88 ALDH1A1 (0.62) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13354922 0.85 FYN (0.59) TTKPLAUERN1BRD4FYN
SCHEMBL16911398 0.83 PDGFRB (0.49) TTKPLAUERN1BRD4FYN
SCHEMBL17476796 0.82 AURKB (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16911390 0.81 LRRK2 (0.53) TTKPLAUERN1BRD4FYN
SCHEMBL26833391 0.81 ERN1 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15889905 0.79 ERN1 (0.51) TTKERN1FYNLRRK2CCNA2
SCHEMBL31607677 0.79 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30839809 0.79 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6863931 0.79 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-15 — — US disclosed
EP-4046688-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-04-09 — — EP disclosed
WO-2024005516-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2024-01-04 — — WO disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 — — US disclosed
EP-4046688-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-08-24 — — 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 (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-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA PIK3CD 2637/4885PIK3CA 2834/4885PIK3CB 1983/4885
US-12358879-B2 Heterocyclic compound PARK7, SMN1; SMN2, SNCA PIK3CD 2637/4885PIK3CA 2834/4885PIK3CB 1983/4885

“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.

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