Sugi Predict

Sugi Predict / Compounds / SCHEMBL9971308

SCHEMBL9971308

SCHEMBL9971308

CCCc1ccc2nccnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ ECE2 P0DPD6 1/20 0.42
▸ SHMT2 P34897 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL6347222 0.85 ESR1 (0.47) RAB9AMEN1KMT2AGAAMAPT
SCHEMBL18713423 0.85 MCL1 (0.44) NPC1RAB9AMAPTNISCHGSK3B
SCHEMBL2056360 0.83 NOS3 (0.52) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL5151371 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL6851853 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL31287240 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL2859216 0.79 TAAR1 (0.45) ECE2SHMT2GAACYP2D6MAPT
SCHEMBL5248396 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL5155836 0.79 KDM4E (0.47) ECE2SHMT2NPC1RAB9AGAA
SCHEMBL31287242 0.79 KDM4E (0.47) ECE2SHMT2NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-10-05 — — US disclosed
WO-2023072969-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 — — WO disclosed
WO-2021236779-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY RODEO THERAPEUTICS CORPORATION (US) 2021-11-25 — — WO disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 — — US disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 — — WO disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 — — 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-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B CNR1 970/4885CNR2 1901/4885ECE2 3564/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 CNR1 2582/4885CNR2 2491/4885ECE2 394/4885

“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.