SCHEMBL3853970

SCHEMBL3853970

c1ccc(-c2cc(C3CCC[N]3)on2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
USP30 Q70CQ3 1/20 0.39
L3MBTL1 Q9Y468 4/20 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
SCHEMBL3853982 0.96 RAB9A (0.42) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL4401708 0.90 KDM4E (0.42) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3851051 0.84 NPC1 (0.31) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3855241 0.81 KDM4E (0.34) NPC1RAB9AALDH1A1KDM4EPKM
SCHEMBL11843669 0.81 KDM4E (0.48) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11841974 0.79 S1PR3 (0.47) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3929469 0.79 HCRTR1 (0.32) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL3927571 0.79 HCRTR1 (0.35)
SCHEMBL3858720 0.76 HCRTR1 (0.47) USP30
SCHEMBL3922291 0.76 SMYD3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
EP-1931662-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY AstraZeneca AB (SE) 2008-06-18 EP disclosed
EP-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP disclosed
WO-2007031745-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 US disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 WO disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 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 (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-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 NPC1 3578/4885RAB9A 3312/4885TP53 2160/4885
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 NPC1 2962/4885RAB9A 3695/4885TP53 245/4885
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 NPC1 4641/4885RAB9A 3739/4885TP53 1927/4885

“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.