SCHEMBL5256371

SCHEMBL5256371

N#Cc1cnc2c(c1)oc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ HPGD P15428 5/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.37

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
SCHEMBL11360752 0.88 MAOA (0.47) ALDH1A1MEN1KMT2ATNKSSMN1; SMN2
SCHEMBL28824656 0.75 MEN1 (0.42) ALDH1A1NPSR1RXFP1MEN1KMT2A
SCHEMBL15631665 0.75 AHR (0.55) ALDH1A1MEN1KMT2ATNKSSMN1; SMN2
SCHEMBL17034005 0.75 CCR1 (0.42) ALDH1A1HTTNPSR1RXFP1MEN1
SCHEMBL3086890 0.74 AHR (0.53) ALDH1A1MEN1KMT2ATNKSSMN1; SMN2
SCHEMBL15695137 0.73 CLK1 (0.52) ALDH1A1MEN1KMT2ATNKSSMN1; SMN2
SCHEMBL11379997 0.73 TTR (0.44) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL11375182 0.73 NT5E (0.42) ALDH1A1HTTRXFP1MEN1KMT2A
SCHEMBL14629280 0.71 ADORA2A (0.41) ALDH1A1HTTMAPK10NPSR1RXFP1
SCHEMBL31637078 0.71 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 — — EP claimed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 — — EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 — — US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 — — US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 — — US disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 — — 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 ALDH1A1 3285/4885HTT 3675/4885MAPK10 153/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 ALDH1A1 3511/4885HTT 3724/4885MAPK10 143/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 ALDH1A1 4120/4885HTT 3920/4885MAPK10 204/4885

“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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