SCHEMBL14911997

SCHEMBL14911997

O=c1[nH]ncc2cncc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
PARP1 P09874 1/20 0.40
PRKCI P41743 1/20 0.40
PDE4B Q07343 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NOS1 P29475 3/20 0.36
POLB P06746 3/20 0.35
SLC2A1 P11166 1/20 0.34
FGFR1 P11362 1/20 0.33
DYRK1A Q13627 1/20 0.32
TIPARP Q7Z3E1 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.32
SLC6A4 P31645 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
SCHEMBL19153314 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL14911424 0.76 NOS1 (0.56) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL18237995 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL20177008 0.71 NOS1 (0.55) HSD17B10TDP1KDM4EHPGDNOS1
SCHEMBL11365543 0.68 ALDH1A1 (0.39) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL30573076 0.67 PARP1 (0.39) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL15755821 0.67 PARP1 (0.39) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL30032497 0.67 ALDH1A1 (0.41) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL707353 0.66
SCHEMBL25235149 0.66 NOS1 (0.41) ALDH1A1HSD17B10PARP1PRKCIPDE4B

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-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
EP-2776418-B1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-01-04 EP disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
EP-2776418-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-09-17 EP disclosed
WO-2013068470-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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 (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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B ALDH1A1 1110/4885HSD17B10 207/4885PARP1 1382/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B ALDH1A1 1110/4885HSD17B10 207/4885PARP1 1382/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A ALDH1A1 185/4885HSD17B10 57/4885PARP1 1044/4885

“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.