SCHEMBL7287849

SCHEMBL7287849

O=c1nc(C=Cc2cccnc2)[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ PADI4 Q9UM07 3/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 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
SCHEMBL7287844 1.00 RAB9A (0.54) RAB9ANPC1CYP11B1CYP11B2PADI4
SCHEMBL7686396 0.86 NPC1 (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7686393 0.86 NPC1 (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL28462890 0.80 NPC1 (0.71) RAB9ANPC1CYP11B1CYP11B2PADI4
SCHEMBL7287858 0.78 TUBB4A (0.76) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL18157727 0.73 CYP11B1 (0.53) RAB9ANPC1CYP11B1CYP11B2PADI4
SCHEMBL7280826 0.71 KDM4E (0.63) RAB9ANPC1CYP11B1CYP11B2KMT2A
SCHEMBL20223300 0.71 CYP11B1 (0.58) RAB9ANPC1CYP11B1CYP11B2PADI4
SCHEMBL2458503 0.70 RAB9A (1.00) RAB9ANPC1CYP11B1CYP11B2KMT2A
SCHEMBL2458502 0.70 RAB9A (1.00) RAB9ANPC1CYP11B1CYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 — — US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 — — EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 — — US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 — — US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 — — EP 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 RAB9A 968/4885NPC1 675/4885CYP11B1 408/4885

“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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