SCHEMBL12844112

SCHEMBL12844112

COc1ccc2c(C)ncnc2c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 12/20 0.55
▸ PDE1A P54750 5/20 0.55
▸ PDE1C Q14123 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PDE5A O76074 6/20 0.46
▸ PDE2A O00408 1/20 0.45
▸ PDE8B O95263 1/20 0.45
▸ PDE4D Q08499 1/20 0.45

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
SCHEMBL857052 0.81 PDE1B (0.54) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL27109564 0.81 KDM4E (0.42) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL30605542 0.81 PDE1B (0.54) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL12143431 0.79 PDE5A (0.68) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL12775446 0.78 PDE1B (0.51) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL12843989 0.78 PDE1B (0.58) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL12141932 0.78 PDE1B (0.61) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL16835554 0.78 PDE1B (0.66) PDE1BPDE1APDE1CKDM4EALDH1A1
SCHEMBL11583026 0.78 HTR1A (0.50) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24393048 0.77 PDE1B (0.38) PDE1BPDE1APDE1CALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 — — EP disclosed
WO-2023077083-A1 ENPP1 INHIBITORS AS INHIBITORS OF METASTASIS ANGARUS THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — WO disclosed
WO-2021226136-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ANGARUS THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
WO-2019051269-A1 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-14 — — WO disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 — — WO disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 — — WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK PDE1B 1005/4885PDE1A 1176/4885PDE1C 1432/4885

“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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