SCHEMBL3852793

SCHEMBL3852793

C(=N/Cc1cc(-c2ccccn2)no1)\c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
HPGD P15428 3/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 5/20 0.38
CYP1A2 P05177 2/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
SMN1; SMN2 Q16637 9/20 0.38
NOTUM Q6P988 2/20 0.37
RAB9A P51151 9/20 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
SCHEMBL3852796 1.00 CA12 (0.42) CA12CA9KDM4EL3MBTL1HPGD
SCHEMBL3852601 0.78 NPC1 (0.38) CA12L3MBTL1HPGDPOLBSMN1; SMN2
SCHEMBL3852598 0.78 NPC1 (0.38) CA12L3MBTL1HPGDPOLBSMN1; SMN2
SCHEMBL4032550 0.78 CYP2C9 (0.58) CA12CA9KDM4EL3MBTL1HPGD
SCHEMBL4032553 0.78 CYP2C9 (0.58) CA12CA9KDM4EL3MBTL1HPGD
SCHEMBL4031821 0.76 MEN1 (0.46) KDM4EL3MBTL1HPGDLMNASMN1; SMN2
SCHEMBL4031823 0.76 MEN1 (0.46) KDM4EL3MBTL1HPGDLMNASMN1; SMN2
SCHEMBL4034149 0.74 SMN1; SMN2 (0.35) L3MBTL1LMNACCR5SMN1; SMN2NOTUM
SCHEMBL4034144 0.74 SMN1; SMN2 (0.35) L3MBTL1LMNACCR5SMN1; SMN2NOTUM
SCHEMBL8938531 0.73 CA12 (0.49) CA12CA9KDM4EL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 CA12 4066/4885CA9 3421/4885KDM4E 3849/4885

“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.