SCHEMBL22638079

SCHEMBL22638079

Nc1nc2ccccc2n1P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.52
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ NOD1 Q9Y239 7/20 0.45
▸ CXCL8 P10145 3/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ NOD2 Q9HC29 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ TNF P01375 2/20 0.44
▸ SOS1 Q07889 1/20 0.44

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
SCHEMBL22638081 0.74 CYP1A2 (0.50) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22248139 0.71 NOS2 (0.61) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28295720 0.71 NOS2 (0.61) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL116004 0.69 NPC1 (0.68) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2952899 0.69 NOS2 (1.00) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23038778 0.67 NOS2 (0.61) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL149707 0.67 SMN1; SMN2 (0.61) NOS2NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL18634230 0.67 NOS2 (0.61) NOS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30621933 0.67 SMN1; SMN2 (0.61) NOS2NPC1RAB9ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL2956007 0.67 NOS2 (0.96) NOS2NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325912-B2 Regio-selective synthesis of imidazo[1,2-a]pyrimidines GENENTECH, INC. (US) 2022-05-10 — — US disclosed
US-20200369670-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES GENENTECH, INC. (US) 2020-11-26 — — US disclosed
WO-2020227576-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-A]PYRIMIDINES GENENTECH, INC. (US) 2020-11-12 — — WO 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 (2 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-11325912-B2 Regio-selective synthesis of imidazo[1,2-a]pyrimidines CDK2, P2RY1, P2RX1 NOS2 3928/4885NPC1 4803/4885RAB9A 3879/4885
US-20200369670-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES CDK2, P2RY1, P2RX1 NOS2 3928/4885NPC1 4803/4885RAB9A 3879/4885

“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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