SCHEMBL5018749

SCHEMBL5018749

CC(C)Cc1cc2ccccn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.44
DRD3 P35462 7/20 0.44
DRD4 P21917 3/20 0.44
PDE10A Q9Y233 1/20 0.44
DRD1 P21728 1/20 0.44
TP53 P04637 3/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK7 P50613 1/20 0.43
TYRO3 Q06418 1/20 0.43
LRRK2 Q5S007 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PARP1 P09874 1/20 0.43
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.38

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
SCHEMBL261030 0.80 DRD2 (0.47) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL259378 0.78 DRD2 (0.48) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL11655446 0.77 MAP4K4 (0.47) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL19996370 0.77 PARP1 (0.35) TP53PARP1TLR7
SCHEMBL30971750 0.77 DRD2 (0.50) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL13540953 0.77 DRD2 (0.47) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL24656101 0.76 NR3C1 (0.47) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL4032354 0.76 DRD2 (0.50) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL10145972 0.76 MAP4K4 (0.46) DRD2DRD3DRD4PDE10ADRD1
SCHEMBL651412 0.74 MAP4K4 (0.47) DRD2DRD3PDE10ATP53MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
US-20210204546-A1 RERBICIDES SYNGENTA PARTICIPATIONS AG 2021-07-08 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-10986838-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2021-04-27 US disclosed
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-20 US disclosed
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-19 US disclosed
US-20190327972-A1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
US-4097483-A HYPOTENSIVE AND ANTISPASMODIC AGENT KYORIN PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 US disclosed
US-4028370-A SMOOTH MUSCLE RELAXANTS, CEREBRAL AND CORONARY DILATORS, HYPOTENSIVE AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JA) 1977-06-07 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 (10 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-20210204546-A1 RERBICIDES DDT, CBR3, PLPBP DRD2 503/4885DRD3 588/4885DRD4 374/4885
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 DRD2 3303/4885DRD3 3018/4885DRD4 3261/4885
US-20190327972-A1 HERBICIDES DDT, HPD, PDXK DRD2 930/4885DRD3 1104/4885DRD4 683/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 DRD2 4638/4885DRD3 4591/4885DRD4 4585/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 DRD2 4346/4885DRD3 4304/4885DRD4 4363/4885
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 DRD2 3303/4885DRD3 3018/4885DRD4 3261/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 DRD2 4074/4885DRD3 3678/4885DRD4 4507/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 DRD2 4638/4885DRD3 4591/4885DRD4 4585/4885
US-10986838-B2 Herbicides DDT, HPD, PDXK DRD2 930/4885DRD3 1104/4885DRD4 683/4885
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 DRD2 3303/4885DRD3 3018/4885DRD4 3261/4885

“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.