SCHEMBL3318872

SCHEMBL3318872

Cc1ccc(Cn2cncn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.67
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
UGT1A4 P22310 1/20 0.46
PDE4D Q08499 1/20 0.46
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.45
PTPN5 P54829 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
Hydrochloric Acid SCHEMBL11228283 0.98 CYP19A1 (0.65) CYP19A1HDAC1HDAC6CYP1A2CYP3A4
SCHEMBL15804428 0.95 CYP19A1 (0.61) CYP19A1HDAC1HDAC6CYP1A2CYP3A4
SCHEMBL17159812 0.90 CYP19A1 (0.80) CYP19A1HDAC1HDAC6UGT1A4PDE4D
SCHEMBL309621 0.85 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP3A4UGT1A4
SCHEMBL15688800 0.84 CYP19A1 (0.71) CYP19A1HDAC1HDAC6
SCHEMBL14496521 0.83 CYP19A1 (0.57) CYP19A1HDAC1HDAC6CYP1A2CYP3A4
SCHEMBL11354103 0.82 CYP19A1 (0.69) CYP19A1HDAC1HDAC6CYP3A4CYP11B1
SCHEMBL3235365 0.82 CYP19A1 (0.69) CYP19A1HDAC1HDAC6
SCHEMBL10066395 0.81 HDAC1 (0.60) CYP19A1HDAC1HDAC6CYP1A2CYP3A4
SCHEMBL307542 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP3A4CYP11B1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
EP-2922840-B1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
CN-1910158-A Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH CORP (US) 2007-02-07 CN disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 US disclosed
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0008651-B1 DERIVATIVES OF TRIAZOLE, PROCESS FOR THEIR PRODUCTION AND INSECTICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0008651-A1 Derivatives of triazole, process for their production and insecticides containing them BASF Aktiengesellschaft (DE) 1980-03-19 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 (6 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 CYP19A1 2930/4885HDAC1 797/4885HDAC6 796/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 CYP19A1 3608/4885HDAC1 1720/4885HDAC6 1595/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 CYP19A1 3608/4885HDAC1 1720/4885HDAC6 1595/4885
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R CYP19A1 389/4885HDAC1 1536/4885HDAC6 3062/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CYP19A1 2396/4885HDAC1 233/4885HDAC6 553/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 CYP19A1 1070/4885HDAC1 3987/4885HDAC6 3741/4885

“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.