SCHEMBL5368533

SCHEMBL5368533

COc1cc2cncnc2c2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
ALOX15 P16050 2/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 2/20 0.36
ALDH1A1 P00352 4/20 0.36
FGFR4 P22455 1/20 0.35
DHFR P00374 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8871968 0.72 PDE5A (0.50) EGFRALDH1A1FGFR4PDE5A
SCHEMBL5243087 0.72 ALDH1A1 (0.46) CYP3A4ALOX15POLBALDH1A1LMNA
SCHEMBL10716947 0.70 MAOA (0.56) CYP3A4ALOX15POLBALDH1A1SMN1; SMN2
SCHEMBL14595283 0.69 EGFR (0.41) CYP3A4EGFRALDH1A1FGFR4CYP1A2
SCHEMBL19878479 0.68 NQO2 (0.45) ALOX15EGFRALDH1A1FGFR4PDE5A
SCHEMBL241727 0.66 EGFR (0.58) EGFRALDH1A1FGFR4SMN1; SMN2KDM4E
SCHEMBL3896815 0.66 EGFR (0.53) POLBEGFRALDH1A1FGFR4SMN1; SMN2
SCHEMBL10957530 0.66 EGFR (0.45) CYP3A4EGFRALDH1A1FGFR4CYP1A2
SCHEMBL23717026 0.66 EGFR (0.38) EGFRALDH1A1FGFR4DHFR
Hydrochloric Acid SCHEMBL8814048 0.65 EGFR (0.56) EGFRALDH1A1FGFR4SMN1; SMN2KDM4E

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
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B CYP3A4 182/4885ALOX15 3324/4885POLB 2370/4885

“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.