SCHEMBL1606101

SCHEMBL1606101

N#Cc1c(-c2cnccc2Cl)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 15/20 0.56
▸ DHODH Q02127 3/20 0.49
▸ DYRK1A Q13627 3/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ CDK5R1 Q15078 2/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ DYRK1B Q9Y463 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ TOP1 P11387 1/20 0.44

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
SCHEMBL1606265 0.75 CYP11B2 (0.61) PDE10ADHODHDYRK1ACLK1CLK2
SCHEMBL13148102 0.74 PDE10A (0.58) PDE10ADHODHKDM4EGABRPGABRD
SCHEMBL17578370 0.73 ERBB2 (0.49) ACHEKDM4EGABRPGABRDIKBKB
SCHEMBL21408192 0.71 KMT2A (0.45) PDE10AALDH1A1HPGDGABRG2MAOA
SCHEMBL17540554 0.71 SLC22A12 (0.56) —
SCHEMBL1514832 0.70 PDE9A (0.47) DYRK1ACLK1KDM4EGABRPGABRD
SCHEMBL1606489 0.69 CYP11B2 (0.64) PDE10AKDM4EALDH1A1HPGDMAOA
SCHEMBL5201588 0.69 CYP19A1 (0.68) PDE10ADHODHDYRK1AKDM4EALDH1A1
SCHEMBL31049545 0.68 AURKA (0.46) PDE10ADYRK1AKDM4EGABRPGABRD
SCHEMBL18979002 0.68 NCOA3 (0.46) PDE10AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 — — EP disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 — — US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 — — US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 — — US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 — — US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 — — US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 — — CN disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 — — US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 — — US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 PDE10A 646/4885DHODH 362/4885DYRK1A 4856/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 PDE10A 646/4885DHODH 362/4885DYRK1A 4856/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 PDE10A 744/4885DHODH 332/4885DYRK1A 4802/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 PDE10A 744/4885DHODH 332/4885DYRK1A 4802/4885

“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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