SCHEMBL430482

SCHEMBL430482

NCCNc1nc(NCCN)nc(NCCN)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.40
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
RECQL P46063 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA5A P35218 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL21527302 0.89 CA12 (0.49) CXCR4CA12CA9CA1CA2
SCHEMBL9528787 0.89 CA1 (0.40) CXCR4CA12CA9CA1CA2
SCHEMBL428279 0.87 CYP1A2 (0.52) CA9CA1CA2KMT2AMEN1
SCHEMBL20375134 0.87 CYP1A2 (0.52) CA9CA1CA2KMT2AMEN1
SCHEMBL20457038 0.87 CXCR4 (0.35) CXCR4CA12CA9CA1CA2
SCHEMBL15813011 0.87 CXCR4 (0.35) CXCR4CA12CA9CA1CA2
SCHEMBL16374910 0.87 GAA (0.43) CXCR4KMT2AMEN1CYP1A2CYP2C19
SCHEMBL17577086 0.87 CA1 (0.39) CXCR4CA12CA9CA1CA2
SCHEMBL18680196 0.85 GAA (0.42) CXCR4CA12CA9CA1CA2
SCHEMBL18062209 0.85 CA1 (0.41) CXCR4CA12CA9CA1CA2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10405543-B2 Microcapsule compositions and the method of their release ROHM AND HAAS COMPANY (US) 2019-09-10 US claimed
US-4980404-A CARBOXYL CONTAINING POLYACRYLATE AND POLYAMINE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1990-12-25 US claimed
CN-121022088-A Flame-retardant high-temperature-resistant car body film and preparation method thereof 浙江时和新材料科技有限公司 2025-11-28 CN disclosed
US-20220073793-A1 ADHESIVE COMPOSITION, METHOD FOR PRODUCING SURFACE-TREATED METAL MEMBER, AND METHOD FOR PRODUCING METAL-RESIN COMPOSITE BODY MEC COMPANY LTD. (JP) 2022-03-10 US disclosed
US-20220015366-A1 TRIS-SUBSTITUTED BIGUANIDE COMPOUNDS AND THEIR USES CHEN HWANG HSING (US) 2022-01-20 US disclosed
EP-3929259-A1 ADHESIVE COMPOSITION, METHOD FOR PRODUCING SURFACE-TREATED METAL MEMBER, AND METHOD FOR PRODUCING METAL-RESIN COMPOSITE BODY MEC COMPANY., LTD. (JP) 2021-12-29 EP disclosed
US-11044912-B2 Branched polymeric biguanide compounds and their uses CHEN HWANG HSING (US) 2021-06-29 US disclosed
EP-3636802-B1 FILM-FORMING COMPOSITION, METHOD FOR PRODUCING SURFACE-TREATED METAL MEMBER, AND METHOD FOR PRODUCING METAL-RESIN COMPOSITE MEC CO LTD (JP) 2021-05-19 EP disclosed
US-10883027-B2 Film-forming composition, method for producing surface-treated metal member, and method for producing metal-resin composite MEC COMPANY LTD. (JP) 2021-01-05 US disclosed
US-10801112-B2 Composition for forming coating, production method for surface-treated metal member, and production method for metal-resin composite MEC COMPANY LTD. (JP) 2020-10-13 US disclosed
US-20200157394-A1 FILM-FORMING COMPOSITION, METHOD FOR PRODUCING SURFACE-TREATED METAL MEMBER, AND METHOD FOR PRODUCING METAL-RESIN COMPOSITE MEC COMPANY LTD. (JP) 2020-05-21 US disclosed
WO-2009124998-A2 HYPERBRANCHED POLYMERS AND OLIGOMERS COMPRISING TERMINAL AMINO GROUPS AS CURING AGENTS FOR EPOXY RESINS BASF SE (DE) 2009-10-15 WO disclosed
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry STARPHARMA PTY LIMITED (AU) 2009-05-07 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed
EP-0179408-B1 AMIDOALKYL MELAMINES AND AMINOALKYL MELAMINES, AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1993-09-08 EP disclosed
EP-0271033-B1 ADHESIVES FOR BONDS WITH INCREASED HEAT RESISTANCE BASF Aktiengesellschaft (DE) 1992-04-22 EP disclosed
US-4980404-A CARBOXYL CONTAINING POLYACRYLATE AND POLYAMINE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4670558-A POLYURETHANE INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
EP-0179408-A2 Amidoalkyl melamines and aminoalkyl melamines, and process for their preparation BASF Aktiengesellschaft (DE) 1986-04-30 EP 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-11044912-B2 Branched polymeric biguanide compounds and their uses PUF60, XRCC6, PCNA CXCR4 4332/4885CA12 1079/4885CA9 438/4885
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry MICA, PICALM, CLTB CXCR4 1355/4885CA12 1551/4885CA9 3714/4885
US-20220015366-A1 TRIS-SUBSTITUTED BIGUANIDE COMPOUNDS AND THEIR USES PUF60, KCNN1, XRCC6 CXCR4 4621/4885CA12 2845/4885CA9 1865/4885

“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.