Sugi Predict

Sugi Predict / Compounds / SCHEMBL15723792

SCHEMBL15723792

SCHEMBL15723792

CC(C)c1cn(C)c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ MTNR1A P48039 3/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ ABCC2 Q92887 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ DNM1 Q05193 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ CAMK2D Q13557 1/20 0.35

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
SCHEMBL17195606 0.81 PDE4B (0.49) CYP19A1KCNH2HTR6DNM1MAPT
SCHEMBL16017509 0.80 MTNR1A (0.39) CYP19A1MTNR1AMTNR1BKCNH2IDO1
SCHEMBL30166033 0.79 CYP19A1 (0.46) CYP19A1MTNR1AMTNR1BPDK1ABCC2
SCHEMBL28914875 0.79 CYP19A1 (0.46) CYP19A1MTNR1AMTNR1BPDK1ABCC2
SCHEMBL27738748 0.79 CYP19A1 (0.41) CYP19A1MTNR1AMTNR1BPDK1GSK3B
SCHEMBL14502284 0.79 MTNR1B (0.43) MTNR1AMTNR1BKCNH2IDO1
SCHEMBL21661970 0.79 KDM4E (0.54) CYP19A1MTNR1AMTNR1BPDK1GSK3B
SCHEMBL14502283 0.79 PRKCI (0.42) MTNR1AMTNR1BKCNH2IDO1MAPT
SCHEMBL3162767 0.77 PDE4B (0.38) CYP19A1KCNH2HTR6DNM1MAPT
SCHEMBL22316063 0.76 MTNR1A (0.61) MTNR1AMTNR1BGSK3BHTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025082069-A1 COMPOUND BINDING TO CRBN PROTEIN AND DEGRADATION AGENT OF PROTEIN 中国海洋大学 2025-04-24 — — WO disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 — — US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 — — US disclosed
WO-2019118799-A1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-20 — — WO disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 — — EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 — — US disclosed
CN-106414429-A Pyrazole compounds and their use as T-type calcium channel blockers 埃科特莱茵药品有限公司 2017-02-15 — — CN disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 — — WO disclosed
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 — — WO disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 — — WO disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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 (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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G CYP19A1 2436/4885MTNR1A 642/4885MTNR1B 522/4885
US-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS CYP19A1 4675/4885MTNR1A 3810/4885MTNR1B 4085/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP19A1 564/4885MTNR1A 4595/4885MTNR1B 4364/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS CYP19A1 4040/4885MTNR1A 3845/4885MTNR1B 4151/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP19A1 564/4885MTNR1A 4595/4885MTNR1B 4364/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP19A1 564/4885MTNR1A 4595/4885MTNR1B 4364/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP19A1 2436/4885MTNR1A 642/4885MTNR1B 522/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP19A1 2436/4885MTNR1A 642/4885MTNR1B 522/4885

“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.