SCHEMBL22553771

SCHEMBL22553771

O=C1Cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
NPC1 O15118 1/20 0.39
CYP11B2 P19099 3/20 0.38
CD38 P28907 1/20 0.37
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
GAA P10253 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PIM1 P11309 1/20 0.36
CYP11B1 P15538 2/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35

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
SCHEMBL30730847 1.00 PIP4K2A (0.40) PIP4K2APIP4K2BBMPR1AACVRL1ACVR1
SCHEMBL22553742 0.82 CYP11B2 (0.40) PIP4K2ANPC1CYP11B2CD38IP6K1
SCHEMBL30730827 0.82 CYP11B2 (0.40) PIP4K2ANPC1CYP11B2CD38IP6K1
SCHEMBL22553750 0.81 CYP11B2 (0.39) PIP4K2ABMPR1AACVRL1ACVR1NPC1
SCHEMBL22554028 0.78 MEN1 (0.40) PIP4K2APIP4K2BNPC1CYP11B2CD38
SCHEMBL30731000 0.78 MEN1 (0.40) PIP4K2APIP4K2BNPC1CYP11B2CD38
SCHEMBL22553788 0.78 CD38 (0.39) NPC1CYP11B2CD38IP6K1IP6K3
SCHEMBL22553899 0.78 NUDT1 (0.46) BMPR1AACVRL1ACVR1NPC1CD38
SCHEMBL22553843 0.78 CD38 (0.39) ACVR1NPC1CYP11B2CD38IP6K1
SCHEMBL22553955 0.78 PIM1 (0.42) PIP4K2ANPC1CYP11B2CD38GAA

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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US claimed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 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 (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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C PIP4K2A 4/4885PIP4K2B 7/4885BMPR1A 2953/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C PIP4K2A 4/4885PIP4K2B 7/4885BMPR1A 2953/4885

“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.