SCHEMBL3591644

SCHEMBL3591644

Cc1nc2ccncc2n1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
RPS6KA5 O75582 1/20 0.48
CYP2D6 P10635 2/20 0.44
CCR5 P51681 2/20 0.44
CYP11B2 P19099 8/20 0.43
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 6/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR1 Q9BXC0 2/20 0.37
CDK4 P11802 1/20 0.37

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
SCHEMBL4126037 0.89 RPS6KA5 (0.60) JAK2JAK1RPS6KA5CYP2D6CCR5
SCHEMBL7587030 0.81 CCR5 (0.54) JAK2JAK1CYP2D6CCR5CYP11B2
SCHEMBL13834245 0.81 CCR5 (0.40) RPS6KA5CYP2D6CCR5CYP11B2CCNT1
SCHEMBL13834246 0.81 CCR5 (0.40) RPS6KA5CYP2D6CCR5CYP11B2CCNT1
Hydrochloric Acid SCHEMBL4710748 0.80 CCR5 (0.39) RPS6KA5CYP2D6CCR5CYP11B2CCNT1
Hydrochloric Acid SCHEMBL4710749 0.80 CCR5 (0.39) RPS6KA5CYP2D6CCR5CYP11B2CCNT1
Hydrochloric Acid SCHEMBL4379304 0.79 CCR5 (0.53) JAK2JAK1CYP2D6CCR5CYP11B2
SCHEMBL8251787 0.79 CYP2D6 (0.36) JAK2JAK1RPS6KA5CYP2D6CCR5
SCHEMBL4134072 0.78 DYRK1A (0.53) CYP2D6CCR5KDM4EALDH1A1L3MBTL1
SCHEMBL3090117 0.77 JAK2 (0.49) JAK2JAK1RPS6KA5CYP11B2CCNT1

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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 JAK2 551/4885JAK1 2719/4885RPS6KA5 1629/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 JAK2 373/4885JAK1 1780/4885RPS6KA5 1693/4885

“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.