SCHEMBL1187750

SCHEMBL1187750

Cc1cccc(N2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ HTR2C P28335 6/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SRC P12931 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ SLC29A2 Q14542 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ PHGDH O43175 1/20 0.35

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
SCHEMBL8040046 0.94 KDM4E (0.42) L3MBTL1KDM4EHTTHTR2CHTR2A
SCHEMBL8038904 0.93 SCN9A (0.41) L3MBTL1KDM4EHTR2CHTR2ASCN9A
SCHEMBL194115 0.87 HTR2C (0.40) KDM4EHTTHTR2CHTR2ASCN9A
SCHEMBL8516432 0.86 HTR2C (0.38) L3MBTL1KDM4EHTTHTR2CHTR2A
SCHEMBL12872277 0.86 NTRK1 (0.38) KDM4EHTR2CHTR2ASCN9AMAPT
SCHEMBL12887232 0.85 KDM4E (0.41) L3MBTL1KDM4EHTR2CHTR2ASCN9A
SCHEMBL195200 0.85 SCN9A (0.37) KDM4EHTTHTR2CHTR2ASCN9A
SCHEMBL588906 0.85 HTR2C (0.41) KDM4EHTTHTR2CHTR2ASCN9A
SCHEMBL195424 0.85 HTR2C (0.39) L3MBTL1KDM4EHTR2CHTR2ASCN9A
SCHEMBL589575 0.84 CTSL (0.44) KDM4EHTTHTR2CHTR2ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
EP-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
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
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — 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 (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 L3MBTL1 2249/4885KDM4E 3174/4885HTT 2006/4885

“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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