SCHEMBL8060129

SCHEMBL8060129

CC(C)[C@H](CO)Nc1nc(N2CCC(c3cccc(Cl)c3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.36
▸ DRD4 P21917 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HRH4 Q9H3N8 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8053421 0.91 DRD2 (0.36) CDK1DRD4DRD2DRD3CCNB2
SCHEMBL12921209 0.91 SOS1 (0.37) ADAM17ADAMTS5AOC3
SCHEMBL187793 0.90 CCR1 (0.34) CDK1HTR3AHRH4DRD2
SCHEMBL7708685 0.90 CCR1 (0.34) CDK1HTR3AHRH4DRD2
SCHEMBL12921221 0.90 KDM4E (0.36) DRD3TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8058982 0.88 DRD3 (0.37) DRD2DRD3TSHRTP53CYP2D6
SCHEMBL12921309 0.88 DRD2 (0.33) DRD4DRD2DRD3
SCHEMBL8056390 0.88 DRD2 (0.36) DRD2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL15976807 0.88 SOS1 (0.32) —
SCHEMBL10266538 0.87 SOS1 (0.34) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — 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 (1 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 CDK1 182/4885DRD4 1111/4885HTR3A 3216/4885

“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.

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