SCHEMBL20993296

SCHEMBL20993296

CC(C)(C)CC(N)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.39
▸ IDO1 P14902 3/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SLC6A2 P23975 2/20 0.35
▸ MC4R P32245 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ AGXT P21549 2/20 0.34
▸ DPP4 P27487 3/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ RIPK1 Q13546 2/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL30949361 0.79 IDO1 (0.41) PDE2AIDO1TDO2CES2CES1
SCHEMBL12487250 0.79 IDO1 (0.41) PDE2AIDO1TDO2CES2CES1
SCHEMBL29257309 0.79 IDO1 (0.41) PDE2AIDO1TDO2CES2CES1
SCHEMBL19438183 0.79 IDO1 (0.41) PDE2AIDO1TDO2CES2CES1
SCHEMBL22878027 0.79 PDE2A (0.46) PDE2AIDO1TDO2CES2CES1
SCHEMBL11657956 0.77 CYP3A4 (0.44) PDE2AIDO1TDO2CES2CES1
SCHEMBL13995189 0.76 PDE2A (0.40) PDE2AIDO1TDO2CES2CES1
SCHEMBL20721233 0.76 PDE2A (0.64) PDE2AIDO1TDO2CES2CES1
SCHEMBL8513268 0.76 CES2 (0.43) PDE2AIDO1TDO2CES2CES1
SCHEMBL4876509 0.76 CES2 (0.43) PDE2AIDO1TDO2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 — — US disclosed
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 — — US disclosed
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 — — US disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 — — US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 — — 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 (5 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-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB PDE2A 1864/4885IDO1 35/4885TDO2 182/4885
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB PDE2A 1864/4885IDO1 35/4885TDO2 182/4885
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB PDE2A 1864/4885IDO1 35/4885TDO2 182/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB PDE2A 1864/4885IDO1 35/4885TDO2 182/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB PDE2A 1864/4885IDO1 35/4885TDO2 182/4885

“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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