SCHEMBL9947860

SCHEMBL9947860

c1ccc2c(c1)Cc1cc3c(cc1C2)Cc1nnnnc1C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
DRD1 P21728 5/20 0.35
DRD5 P21918 5/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
MAOA P21397 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
MAOB P27338 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
METAP2 P50579 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9948370 0.74 ALOX15 (0.36) CYP1A2DRD1DRD5DRD2DRD4
SCHEMBL22081972 0.71 CYP1A2 (0.62) CYP1A2DRD1DRD5DRD2DRD4
SCHEMBL1525601 0.71
SCHEMBL29881712 0.71
SCHEMBL109650 0.71 CYP1A2 (0.62) CYP1A2DRD1DRD5DRD2DRD4
SCHEMBL6837855 0.70 METAP2 (0.53) MAOACYP3A4TSHRHSD17B10METAP2
SCHEMBL30940280 0.70 METAP2 (0.53) MAOACYP3A4TSHRHSD17B10METAP2
SCHEMBL10976988 0.69 TSHR (0.60) CYP1A2DRD1DRD5DRD2DRD4
SCHEMBL29136589 0.68
Hydrochloric Acid SCHEMBL4314909 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334384-B2 Process for preparing tetrahydrotetraazapentacenes and derivatives XEROX CORPORATION (US) 2012-12-18 US disclosed
US-8283659-B2 Tetrahydrotetraazapentacenes in thin-film transistors XEROX CORPORATION (US) 2012-10-09 US disclosed
US-20120161108-A1 TETRAHYDROTETRAAZAPENTACENES IN THIN-FILM TRANSISTORS XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120165529-A1 PROCESS FOR PREPARING TETRAHYDROTETRAAZAPENTACENES AND DERIVATIVES XEROX CORPORATION (US) 2012-06-28 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 (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-20120161108-A1 TETRAHYDROTETRAAZAPENTACENES IN THIN-FILM TRANSISTORS CYP4Z1, TCF4, TERT CYP1A2 265/4885DRD1 1465/4885DRD5 1873/4885
US-20120165529-A1 PROCESS FOR PREPARING TETRAHYDROTETRAAZAPENTACENES AND DERIVATIVES DHPS, TBXA2R, DHRS9 CYP1A2 20/4885DRD1 255/4885DRD5 190/4885

“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.