SCHEMBL10909304

SCHEMBL10909304

CC(C)(C)c1cc(Cl)n2ncnc2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ENPP1 P22413 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL18358397 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDENPP1
SCHEMBL18372890 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDENPP1MEN1
SCHEMBL9039176 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL5145474 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL864946 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL9680379 0.76 KDM4E (0.46) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL7433052 0.72 KDM1A (0.44) ALDH1A1KDM4EHPGDTSHRENPP1
SCHEMBL18358125 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20266723 0.70 MEN1 (0.52) ALDH1A1KDM4EHPGDTSHRENPP1
SCHEMBL12952976 0.69 PDE10A (0.61) KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 — — US disclosed
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 — — US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 — — US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 — — US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 — — US disclosed
WO-2017000277-A1 SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 — — WO disclosed
WO-2017003894-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 — — WO disclosed
US-4604339-A PRODUCING IMAGES WITH HIGH CONTRAST AND HIGH MAXIMUM DENSITY FUJI PHOTO FILM CO., LTD. (JP) 1986-08-05 — — US disclosed
US-4551419-A HIGH PHOTSENSITIVITY AND CONTRAST BY INCLUDING A SULFUR COMPOUND AND A MERCAPTO-CONTAINING AZAINDENE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1985-11-05 — — 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D ALDH1A1 1376/4885KDM4E 2962/4885HPGD 167/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D ALDH1A1 1376/4885KDM4E 2962/4885HPGD 167/4885

“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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