SCHEMBL5242178

SCHEMBL5242178

COc1cc2c(Cl)ncnc2c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ENPP1 P22413 3/20 0.43
EGFR P00533 5/20 0.41
AURKA O14965 1/20 0.40
PDE5A O76074 4/20 0.40
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDR P35968 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
SCHEMBL5243087 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTENPP1
SCHEMBL17934408 0.77 EGFR (0.57) ENPP1EGFRKDR
SCHEMBL856422 0.74 PDE5A (0.68) ALDH1A1MEN1KMT2AMAPTENPP1
Hydrochloric Acid SCHEMBL6786207 0.73 PDE5A (0.66) ALDH1A1MEN1KMT2AMAPTENPP1
SCHEMBL14671423 0.71 POLB (0.50) ALDH1A1MEN1KMT2AMAPTENPP1
SCHEMBL24392592 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTENPP1
SCHEMBL19878150 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTENPP1
SCHEMBL24329394 0.69 EGFR (0.39) ALDH1A1KMT2AMAPTEGFRLMNA
SCHEMBL27167392 0.68 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTENPP1
SCHEMBL13757314 0.68 EPHB4 (0.39) ALDH1A1ENPP1PDE5APOLBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 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-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PDE5A, PDE4A, PDE3A ALDH1A1 900/4885MEN1 3320/4885KMT2A 2191/4885

“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.