SCHEMBL3424059

SCHEMBL3424059

Cc1ccc2[nH]c(-c3cccnc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
RAB9A P51151 4/20 0.67
HPGD P15428 4/20 0.67
KDM4E B2RXH2 3/20 0.67
NPC1 O15118 3/20 0.67
ALDH1A1 P00352 3/20 0.67
STAT1 P42224 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
LDHA P00338 1/20 0.66
EPHX2 P34913 1/20 0.66
HTT P42858 2/20 0.58
CYP11B1 P15538 1/20 0.58
GUSB P08236 1/20 0.54
KMT2A Q03164 2/20 0.54
MAP2K4 P45985 1/20 0.54
HSD17B10 Q99714 1/20 0.52
KIT P10721 3/20 0.52
NPY5R Q15761 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL3424060 0.88 MAPT (0.70) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL24075261 0.84 RAB9A (0.73) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL6124304 0.83 NPC1 (0.61) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL3336231 0.83 NPC1 (0.62) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL3541175 0.82 MAPT (0.79) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL3333868 0.82 KDM4E (0.67) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL10175464 0.82 CYP11B1 (0.79) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL8054731 0.82 MAPT (0.67) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL21087331 0.81 NPC1 (0.60) MAPTRAB9AHPGDKDM4ENPC1
SCHEMBL16499476 0.81 ALDH1A1 (0.65) MAPTRAB9AHPGDKDM4ENPC1

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
US-7662526-B2 Photoconductors XEROX CORPORATION (US) 2010-02-16 US claimed
US-20080274418-A1 Photoconductors XEROX CORPORATION 2008-11-06 US claimed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 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-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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 MAPT 4255/4885RAB9A 2130/4885HPGD 601/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR MAPT 3575/4885RAB9A 1919/4885HPGD 484/4885

“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.