SCHEMBL4542918

SCHEMBL4542918

CCOc1nc(NC)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ SCN9A Q15858 1/20 0.48
▸ CYP1A2 P05177 9/20 0.48
▸ CYP3A4 P08684 7/20 0.48
▸ CYP2D6 P10635 7/20 0.48
▸ CYP2C19 P33261 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SYK P43405 1/20 0.48
▸ CLK4 Q9HAZ1 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ CYP2C9 P11712 3/20 0.47
▸ CYP1A1 P04798 2/20 0.47
▸ MERTK Q12866 1/20 0.46

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
SCHEMBL16404328 0.85 LMNA (0.47) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL4541392 0.81 LMNA (0.50) KDM4ELMNASCN9ACYP1A2CYP3A4
SCHEMBL27627952 0.78 SCN9A (0.51) KDM4ESCN9ACYP1A2HSD17B10TSHR
SCHEMBL20610507 0.78 KMT2A (0.59) KDM4ELMNASCN9ACYP1A2CYP2C19
SCHEMBL14964747 0.77 KMT2A (0.55) KDM4ESCN9ACYP1A2CYP1A1MAPT
SCHEMBL4541289 0.76 MEN1 (0.50) KDM4ESCN9ATDP1SMN1; SMN2MAPT
SCHEMBL3118629 0.76 APP (0.68) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22694397 0.75 SCN9A (0.71) KDM4ESCN9AALDH1A1MAPTKMT2A
SCHEMBL25760732 0.75 MERTK (0.74) KDM4EMAPK1ALDH1A1SMN1; SMN2MERTK
SCHEMBL31649377 0.75 KDM4E (0.56) KDM4ELMNACYP1A2CYP3A4CYP2D6

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
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 — — US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — WO disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 — — US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 — — EP disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 — — US disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 — — EP disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 — — EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 — — EP disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 — — 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 (3 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR KDM4E 2055/4885LMNA 4202/4885SCN9A 946/4885
US-20030225111-A1 Therapy VEGFA, AQP1, FLT1 KDM4E 1849/4885LMNA 2460/4885SCN9A 714/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 KDM4E 1506/4885LMNA 3352/4885SCN9A 777/4885

“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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