SCHEMBL429197

SCHEMBL429197

O=C1NCc2cc(Br)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
BRD4 O60885 1/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
CMA1 P23946 1/20 0.49
AHR P35869 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PARP10 Q53GL7 2/20 0.42
TDP2 O95551 1/20 0.42
PARP11 Q9NR21 1/20 0.42
TGM2 P21980 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.41
CRBN Q96SW2 1/20 0.40

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
SCHEMBL16318310 0.87 CMA1 (0.59) PDE3BPDE3ABRD4CYP11B1CYP11B2
SCHEMBL31173261 0.87 CMA1 (0.59) PDE3BPDE3ABRD4CYP11B1CYP11B2
SCHEMBL4899191 0.82 PARP10 (0.56) PDE3BPDE3ABRD4CYP11B1CYP11B2
SCHEMBL15373652 0.80 PNMT (0.45) BRD4CMA1AHRPARP10TDP2
SCHEMBL25367020 0.78 BRD4 (0.44) PDE3BPDE3ABRD4CMA1AHR
SCHEMBL30528610 0.78 BRD4 (0.44) PDE3BPDE3ABRD4CMA1AHR
SCHEMBL29546522 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2CA12
SCHEMBL8551799 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2AHR
SCHEMBL3640443 0.78 PDE3B (0.58) PDE3BPDE3ABRD4CYP11B1CYP11B2
SCHEMBL13496007 0.78 PDE3B (0.58) PDE3BPDE3ABRD4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors AMGEN INC. (US) 2024-06-25 US disclosed
CN-117813086-A Arylsulfonyl (hydroxy) piperidines as CCR6 inhibitors 坎莫森特里克斯公司 2024-04-02 CN disclosed
US-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-05-04 US disclosed
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 US disclosed
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 US disclosed
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 US disclosed
US-9145388-B2 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-29 US disclosed
US-9145388-B2 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-29 US disclosed
US-9145388-B2 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-29 US disclosed
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-08-20 US disclosed
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-08-20 US disclosed
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-08-20 US disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 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 (5 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-20230133406-A1 Aryl Sulfonyl (Hydroxy) Piperidines as CCR6 Inhibitors CCR6, CCR1, CCR4 PDE3B 1875/4885PDE3A 1816/4885BRD4 403/4885
US-12018016-B2 Aryl sulfonyl (hydroxy) piperidines as CCR6 inhibitors CCR6, CCR1, CCR4 PDE3B 1875/4885PDE3A 1816/4885BRD4 403/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 PDE3B 98/4885PDE3A 132/4885BRD4 422/4885
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES HTR2C, HTR2A, HTR1B PDE3B 1843/4885PDE3A 1827/4885BRD4 92/4885
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES HTR2C, HTR2A, HTR1B PDE3B 1843/4885PDE3A 1827/4885BRD4 92/4885

“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.