SCHEMBL13836419

SCHEMBL13836419

Nc1ccc2c(ccn2CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.55
▸ PLAU P00749 3/20 0.47
▸ PLG P00747 2/20 0.47
▸ NTSR1 P30989 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ EGFR P00533 2/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ CDK4 P11802 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ ACACB O00763 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL6789563 0.84 PRKCI (0.56) PRKCIPLAUPLGNTSR1EGFR
SCHEMBL30672832 0.82 PRKCI (0.55) PRKCIPLAUPLGNTSR1EGFR
SCHEMBL3650822 0.82 PRKCI (0.59) PRKCIPLAUPLGNTSR1EGFR
SCHEMBL16370787 0.82 PRKCI (0.55) PRKCIPLAUPLGNTSR1EGFR
SCHEMBL24669590 0.79 PLG (0.45) PLAUPLGCDK4CCND1ACACB
SCHEMBL5089820 0.79 PRKCI (0.56) PRKCIPLAUPLGNTSR1KDM4E
SCHEMBL31561786 0.79 HTR2C (0.55) PLAUPLGCDK4CCND1ACACB
SCHEMBL25310410 0.79 HTR2C (0.55) PLAUPLGCDK4CCND1ACACB
SCHEMBL256348 0.79 PLG (0.44) PLAUPLGCDK4CCND1ACACB
SCHEMBL11622820 0.79 HTR2A (0.57) PLAUPLGKDM4ECDK4CCND1

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
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 — — US disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 — — CN disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 — — US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 — — US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 — — US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 — — 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 (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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL PRKCI 2155/4885PLAU 1083/4885PLG 1274/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF PRKCI 2706/4885PLAU 1830/4885PLG 1732/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF PRKCI 2706/4885PLAU 1830/4885PLG 1732/4885

“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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