SCHEMBL17406920

SCHEMBL17406920

Cc1ncnc2c1cc(C)n2C1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA8 P11142 4/20 0.51
▸ HSPA5 P11021 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49
▸ GAPDH P04406 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HBB P68871 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SLC28A1 O00337 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 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
SCHEMBL20192483 1.00 HSPA8 (0.51) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL6380760 0.88 HSPA8 (0.61) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL17816352 0.78 ADK (0.64) SLC29A1
SCHEMBL18009703 0.78 ADK (0.64) SLC29A1
SCHEMBL17800853 0.78 ADK (0.64) SLC29A1
SCHEMBL18595743 0.78 ADK (0.64) SLC29A1
SCHEMBL1740449 0.78 HSPA5 (0.63) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL18464362 0.75 ADK (0.57) HSPA8HSPA5RXFP1ADORA3
SCHEMBL19837967 0.75 ADK (0.70) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL17406892 0.74 HSPA8 (0.56) HSPA8HSPA5RXFP1GAPDHHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 — — US disclosed
US-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 — — US disclosed
US-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NORTHWESTERN UNIVERSITY (US) 2016-01-07 — — US disclosed
US-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NORTHWESTERN UNIVERSITY (US) 2016-01-07 — — 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-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS DPYD, TYMP, TYMS HSPA8 2573/4885HSPA5 2770/4885RXFP1 4869/4885

“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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