SCHEMBL4445289

SCHEMBL4445289

c1cnn2cc(C3CC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.40
PDE10A Q9Y233 2/20 0.38
PDE4B Q07343 6/20 0.34
PDE4D Q08499 5/20 0.34
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
GSK3A P49840 3/20 0.33
MCHR1 Q99705 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPT P10636 2/20 0.32
TGFBR1 P36897 1/20 0.31
GSK3B P49841 2/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL3954500 0.93 RBP4 (0.39) RBP4PDE10APDE4BPDE4DPDE4A
SCHEMBL2748033 0.73 DYRK1A (0.47) PDE10ATGFBR1CDK2
SCHEMBL16972526 0.70 PDE10A (0.41) RBP4PDE10AMCHR1
SCHEMBL26186714 0.70 PDE10A (0.41) RBP4PDE10AMCHR1MAPT
SCHEMBL446360 0.69 PDE10A (0.38) RBP4PDE10APDE4BPDE4DPDE4A
SCHEMBL9935117 0.69 RBP4 (0.32) RBP4
SCHEMBL1744717 0.69 RBP4 (0.32) RBP4
SCHEMBL25658370 0.69 RBP4 (0.32) RBP4
SCHEMBL3122117 0.69 PDE4A (0.34) RBP4PDE4BPDE4DPDE4APDE4C
SCHEMBL26373813 0.69 RBP4 (0.32) RBP4PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262802-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2023-10-25 EP disclosed
CN-116887834-A Polycyclic IRAK and flt3 inhibiting compounds and uses thereof 儿童医院医学中心 2023-10-13 CN disclosed
WO-2022132936-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-23 WO disclosed
US-10669279-B2 Imidazopyridazine compounds PFIZER INC. (US) 2020-06-02 US disclosed
US-20190322674-A1 IMIDAZOPYRIDAZINE COMPOUNDS PFIZER (US) 2019-10-24 US disclosed
US-20180346475-A1 Imidazopyridazine Compounds PFIZER INC. (US) 2018-12-06 US disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 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 (5 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-20180346475-A1 Imidazopyridazine Compounds CYP3A5, QDPR, CYP3A7 RBP4 3540/4885PDE10A 827/4885PDE4B 206/4885
US-20190322674-A1 IMIDAZOPYRIDAZINE COMPOUNDS CYP3A5, QDPR, CYP3A7 RBP4 3540/4885PDE10A 827/4885PDE4B 206/4885
US-10669279-B2 Imidazopyridazine compounds CYP3A5, QDPR, CYP3A7 RBP4 3540/4885PDE10A 827/4885PDE4B 206/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 RBP4 4068/4885PDE10A 1257/4885PDE4B 632/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD RBP4 18/4885PDE10A 3316/4885PDE4B 1267/4885

“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.