SCHEMBL8023727

SCHEMBL8023727

[O-][S+]1CCc2nc(N3CCN(c4ccc(Cl)c(F)c4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 12/20 0.36
▸ CDK2 P24941 5/20 0.36
▸ BTK Q06187 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ CCNA2 P20248 4/20 0.34
▸ MAPK3 P27361 4/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ RET P07949 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ EML4 Q9HC35 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ RAD51 Q06609 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL12872258 0.92 SMN1; SMN2 (0.36) MAPK1CDK2EHMT2EHMT1RET
SCHEMBL589081 0.88 MAPT (0.38) MAPK1AOC3RETROS1FLT3
SCHEMBL9268585 0.86 CSNK1D (0.38) EHMT2EHMT1ALK
SCHEMBL8025311 0.86 RET (0.39) BTKEHMT2EHMT1AOC3RET
SCHEMBL10265576 0.85 EML4 (0.36) EHMT2EHMT1AOC3RETROS1
SCHEMBL9272381 0.84 MAPK1 (0.34) MAPK1BTKALK
SCHEMBL194991 0.84 PDE4D (0.35) EHMT2EHMT1RETROS1FLT3
SCHEMBL1188274 0.83 AKR1C3 (0.37) EHMT2RETROS1FLT3EML4
SCHEMBL31084065 0.81 EHMT2 (0.33) MAPK1CDK2EHMT2EHMT1CCNA2
SCHEMBL8038226 0.80 AKR1C3 (0.42) EHMT2EHMT1RETROS1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009053268-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — 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 (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-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 MAPK1 618/4885CDK2 137/4885BTK 338/4885

“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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