SCHEMBL1904096

SCHEMBL1904096

CC(Nc1ncnc2sccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ NOD1 Q9Y239 1/20 1.00
▸ EGFR P00533 14/20 0.62
▸ GALR3 O60755 1/20 0.61
▸ NR2F2 P24468 1/20 0.61
▸ NPC1 O15118 1/20 0.59
▸ FDPS P14324 1/20 0.53
▸ KRAS P01116 1/20 0.52
▸ SOS1 Q07889 1/20 0.52
▸ PIK3CD O00329 1/20 0.52

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
SCHEMBL22862445 0.92 TNF (0.85) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862863 0.87 RAB9A (0.78) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862473 0.87 RAB9A (0.78) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862425 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862813 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862471 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862472 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862521 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862834 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3
SCHEMBL22862444 0.86 RAB9A (0.76) TNFRAB9ANOD1EGFRGALR3

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-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 — — EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 TNF 1616/4885RAB9A 2578/4885NOD1 1184/4885

“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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