SCHEMBL7141744

SCHEMBL7141744

O=Cc1ccc(C(F)(F)F)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ GRIA3 P42263 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ ALDH1A3 P47895 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ APP P05067 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2A6 P11509 4/20 0.32
▸ CES2 O00748 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
SCHEMBL472408 0.81 KIF11 (0.56) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL6849159 0.79 KIF11 (0.55) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL48409 0.78 KIF11 (0.73) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL6853514 0.78 KIF11 (0.53) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL17345173 0.78 KIF11 (0.53) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29438427 0.78 KIF11 (0.73) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL24445838 0.76 KDM4E (0.57) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL15781904 0.76 KIF11 (0.51) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29417742 0.76 KIF11 (0.51) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29417704 0.76 ALDH1A1 (0.57) KIF11ALDH1A1KDM4EPTGS2RAB9A

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-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 — — US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 — — US disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — WO disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 — — US disclosed
US-6632418-B2 Therapy for asthma, sexual disorders, hypotensive agents, analgesics ABBOTT LABORATORIES 2003-10-14 — — US disclosed
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators ABBOTT LABORATORIES 2003-04-03 — — US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 — — US disclosed
WO-2003011869-A1 RADIOLIGANDS AND THEIR USE FOR IDENTIFYING POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2003-02-13 — — WO disclosed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 — — EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 — — 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 KIF11 1859/4885ALDH1A1 571/4885KDM4E 1295/4885
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D KIF11 3034/4885ALDH1A1 705/4885KDM4E 2035/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D KIF11 3034/4885ALDH1A1 705/4885KDM4E 2035/4885
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators KCNN3, KCNN1, KCNN2 KIF11 1575/4885ALDH1A1 3799/4885KDM4E 1092/4885

“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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