SCHEMBL980050

SCHEMBL980050

c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
LMNA P02545 3/20 0.62
CYP19A1 P11511 1/20 0.52
NOTUM Q6P988 1/20 0.50
CYP2D6 P10635 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KCNA1 Q09470 1/20 0.47
LATS1 O95835 2/20 0.45
LATS2 Q9NRM7 2/20 0.45

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
SCHEMBL30866250 0.97 MAPT (0.59) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL18538202 0.94 MAPT (0.65) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL11957581 0.94 MAPT (0.65) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL5590046 0.89 NOTUM (0.70) MAPTLMNANOTUMKDM4ESMN1; SMN2
SCHEMBL5590035 0.89 NOTUM (0.70) MAPTLMNANOTUMKDM4ESMN1; SMN2
SCHEMBL25468175 0.87 MAPT (0.48) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL13067554 0.87 MAPT (0.48) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL16861522 0.87 MAPT (0.48) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL10824755 0.87 L3MBTL1 (0.62) MAPTLMNACYP19A1NOTUMCYP2D6
SCHEMBL8490725 0.87 ADORA2A (0.56) MAPTLMNACYP19A1NOTUMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119978405-A Preparation method of cobalt-based metal organic framework material and composite material thereof for telex induction 三峡大学 2025-05-13 CN claimed
CN-119978406-A Preparation method of nickel-based metal organic framework material and application of composite material in alcohol oxidation 三峡大学 2025-05-13 CN claimed
CN-119877011-A Electrode of electrolytic tank for producing hydrogen from seawater and preparation method thereof 苏州莒纳新材料科技有限公司 2025-04-25 CN claimed
CN-119771500-A Cobalt-based crystalline catalyst with three-dimensional porous structure, and preparation method and application thereof 上海应用技术大学 2025-04-08 CN claimed
CN-119615266-A Electrode catalyst for hydrogen production electrolytic tank and preparation method thereof 苏州莒纳新材料科技有限公司 2025-03-14 CN claimed
CN-119463170-A Preparation method and application of triazinyl ionic organic polymer 昆明理工大学 2025-02-18 CN claimed
CN-119019703-A Preparation method of zinc coordination polymer and application of zinc coordination polymer in catalyzing conversion of aryl substituted ethylene into aryl formaldehyde/aryl ketone derivative 曲靖师范学院 2024-11-26 CN claimed
CN-118993874-A Application of pyridinium as photocatalyst in xylene selective oxidation 北京理工大学 2024-11-22 CN claimed
CN-118908983-A Inorganic-organic hybrid photoelectrochromic material and preparation method and application thereof 河南大学 2024-11-08 CN claimed
CN-118878822-A Cationic free radical triazinyl polyacetylene, preparation method and photocatalytic application thereof 江苏师范大学 2024-11-01 CN claimed
US-8288535-B2 Synthesis method of polymer complex crystal THE UNIVERSITY OF TOKYO (JP) 2012-10-16 US claimed
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US claimed
US-8063207-B2 Molecular assembly KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-22 US claimed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US claimed
US-20100105901-A1 SYNTHESIS METHOD OF POLYMER COMPLEX CRYSTAL THE UNIVERSITY OF TOKYO (JP) 2010-04-29 US claimed
US-20090162764-A1 NITROGEN HETEROCYCLICS CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-06-25 US claimed
US-20090061337-A1 PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-03-05 US claimed
US-20040014963-A1 Substantially spherical supramolecular assemblies ATWOOD JERRY L 2004-01-22 US claimed
US-20030166920-A1 Prismatic supramolecules ACADEMIA SINICA (TW) 2003-09-04 US claimed
US-4418221-A SOLVENT EXTRACTION WITH A NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS KOEI CHEMICAL CO., LTD. (JP) 1983-11-29 US claimed

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-20040014963-A1 Substantially spherical supramolecular assemblies COG4, SIN3A, SMC4 MAPT 1118/4885LMNA 2239/4885CYP19A1 4568/4885
US-20030166920-A1 Prismatic supramolecules OPRM1, AP3M1, CCR1 MAPT 3246/4885LMNA 4280/4885CYP19A1 4575/4885
US-20100105901-A1 SYNTHESIS METHOD OF POLYMER COMPLEX CRYSTAL SLC30A6, ZKSCAN2, SLC39A3 MAPT 347/4885LMNA 3236/4885CYP19A1 4738/4885

“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.