Sugi Predict

Sugi Predict / Compounds / SCHEMBL8367141

SCHEMBL8367141

SCHEMBL8367141

CCC(CC)NC(=O)CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ FAAH O00519 1/20 0.36

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
SCHEMBL20988004 0.85 DNM1 (0.58) DNM1LMNAPOLBCA12CA1
SCHEMBL22697526 0.84 DNM1 (0.61) DNM1LMNAKMT2AMEN1PLA2G2C
SCHEMBL20988079 0.82 DNM1 (0.44) DNM1LMNAPOLBCA12CA1
SCHEMBL8365135 0.81 CA12 (0.46) DNM1LMNAPOLBCA12CA1
SCHEMBL19520081 0.81 HDAC3 (0.50) DNM1LMNAPOLBCA12CA1
SCHEMBL23766545 0.78 PLA2G10 (0.46) DNM1LMNA
SCHEMBL9068964 0.77 PLA2G2C (0.49) LMNAPOLBCA12CA1CA2
SCHEMBL13850710 0.77 CA12 (0.43) DNM1LMNAPOLBCA12CA1
SCHEMBL25022010 0.77 DNM1 (0.36) DNM1LMNAPOLBCA12CA1
SCHEMBL3205737 0.76 — —

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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 — — US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 — — US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 — — US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A DNM1 1062/4885LMNA 2896/4885POLB 1120/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 DNM1 1717/4885LMNA 4260/4885POLB 180/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 DNM1 932/4885LMNA 1917/4885POLB 2897/4885

“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.