SCHEMBL2074679

SCHEMBL2074679

O=S(=O)(c1ccccc1)N1CCc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.62
HTR6 P50406 5/20 0.62
HRH3 Q9Y5N1 3/20 0.60
RORC P51449 1/20 0.60
NR1H3 Q13133 1/20 0.60
DRD2 P14416 2/20 0.57
MAPT P10636 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
AKR1C3 P42330 1/20 0.53
AKR1C1 Q04828 1/20 0.53

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
SCHEMBL26005660 0.86 MAPT (0.63) DRD3HTR6MAPT
SCHEMBL1396337 0.83 CYP11B1 (0.53) DRD3HTR6HRH3RORCNR1H3
SCHEMBL10186983 0.82 MEN1 (0.69) DRD3HTR6HRH3RORCNR1H3
SCHEMBL29682974 0.81 MEN1 (0.77) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL395744 0.81 MEN1 (0.77) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6349483 0.80 AKR1C3 (0.55) MAPTMEN1KMT2AAKR1C3AKR1C1
SCHEMBL2512217 0.80 DRD3 (0.60) DRD3HTR6HRH3RORCNR1H3
SCHEMBL2510105 0.80 MCL1 (0.75) MAPTMEN1KMT2AAKR1C3AKR1C1
SCHEMBL394561 0.79 DRD3 (0.63) DRD3HTR6HRH3RORCNR1H3
SCHEMBL2513172 0.79 NR1H3 (0.59) DRD3HTR6HRH3RORCNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
CN-116490186-A Compounds for targeted degradation of RET C4医药公司 2023-07-25 CN disclosed
EP-4192458-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 Therapeutics, Inc. (US) 2023-06-14 EP disclosed
WO-2022032026-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
CN-1326457-A 4-aminopyrrolopyrimidines as kinase inhibitors BASF AG (DE) 2001-12-12 CN disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO 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-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 DRD3 4591/4885HTR6 2440/4885HRH3 2191/4885
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 DRD3 3914/4885HTR6 3713/4885HRH3 2249/4885

“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.