SCHEMBL589249

SCHEMBL589249

CN(C)CC(=O)Nc1ccc(N2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL589865 0.86 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL588838 0.84 MEN1 (0.42) ALDH1A1NPC1MAPTSMN1; SMN2MEN1
SCHEMBL591054 0.83 TRPV1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL588906 0.82 HTR2C (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL15400059 0.82 MAPT (0.38) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8038904 0.82 SCN9A (0.41) HTR2CHTR2A
SCHEMBL8040046 0.81 KDM4E (0.42) LMNASMN1; SMN2MEN1KMT2AHTR2C
SCHEMBL194115 0.81 HTR2C (0.40) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8516432 0.80 HTR2C (0.38) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL589575 0.80 CTSL (0.44) ALDH1A1MAPTMEN1KMT2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 — — US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 — — US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 — — US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 — — US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — 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 (3 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 CCNT1 662/4885CCNE1 1496/4885CDK2 274/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT CCNT1 135/4885CCNE1 446/4885CDK2 177/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT CCNT1 146/4885CCNE1 544/4885CDK2 87/4885

“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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