SCHEMBL798110

SCHEMBL798110

O=C1CNCc2cccc(Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
AHR P35869 1/20 0.42
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 5/20 0.40
DYRK2 Q92630 1/20 0.40
CES1 P23141 1/20 0.39
RET P07949 1/20 0.37
GRK5 P34947 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAPT P10636 1/20 0.36
PBRM1 Q86U86 1/20 0.36
GUSB P08236 1/20 0.36
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
DYRK1A Q13627 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL24643279 0.77 IKBKB (0.44) PNMTHTR2CHTR2BDYRK2
SCHEMBL30812435 0.77 IKBKB (0.44) PNMTHTR2CHTR2BDYRK2
SCHEMBL28503130 0.77 IKBKB (0.40) PNMTDYRK2DYRK1BDYRK1A
Hydrochloric Acid SCHEMBL29782519 0.76 IKBKB (0.39) PNMTDYRK2DYRK1BDYRK1A
Hydrochloric Acid SCHEMBL17699678 0.76 IKBKB (0.39) PNMTDYRK2DYRK1BDYRK1A
SCHEMBL20589092 0.75 AHR (0.47) AHRHTR2AHTR2CHTR2BCES1
SCHEMBL6094925 0.74 AURKA (0.54) PNMTAHRHTR2AHTR2CHTR2B
SCHEMBL568118 0.74 AHR (0.41) PNMTAHRHTR2AHTR2CHTR2B
SCHEMBL3992450 0.73 PNMT (0.46) PNMTAHRHTR2CDYRK2CES1
SCHEMBL15467582 0.73 HTR2C (0.44) HTR2AHTR2CHTR2BCES1

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-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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 (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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PNMT 2315/4885AHR 185/4885HTR2A 3716/4885

“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.