SCHEMBL21970622

SCHEMBL21970622

Cc1cnc2nc(C)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL14200141 0.75 KDM4E (0.35) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL14315734 0.75 CYP1A2 (0.54) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL14200138 0.73 KDM4E (0.34) CYP1A2ALDH1A1CCNB2CDK1CCNB1
SCHEMBL2618987 0.73 CYP1A2 (0.39) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL14828752 0.72 CYP1A2 (0.39) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL14259049 0.72 ALDH1A1 (0.39) CYP1A2ALDH1A1CCNB2CDK1CCNB1
SCHEMBL14828799 0.72 CYP1A2 (0.39) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL11604802 0.71 ADRB1 (0.43) CYP1A2ALDH1A1MAPK1HTTKDM4E
SCHEMBL24284152 0.71 CYP1A2 (0.43) CYP1A2CCR1CCR5ALDH1A1KDM4E
SCHEMBL9572386 0.71 CCR1 (0.64) CYP1A2CCR1CCR5CCR8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737351-B2 Organic semiconductor material and organic photoelectric device using the same Raynergy Tek Incorporation (TW) 2023-08-22 US disclosed
US-11737351-B2 Organic semiconductor material and organic photoelectric device using the same Raynergy Tek Incorporation (TW) 2023-08-22 US disclosed
US-11299581-B2 Conjugated polymer and application thereof RAYNERGY TEK INC. (TW) 2022-04-12 US disclosed
US-20210171705-A1 CONJUGATED POLYMER MATERIAL AND ORGANIC PHOTOVOLTAIC DEVICE USING THE SAME Raynergy Tek Incorporation (TW) 2021-06-10 US disclosed
US-20200328361-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC PHOTOVOLATIC DEVICE USING THE SAME Raynergy Tek Incorporation (TW) 2020-10-15 US disclosed
US-20200140605-A1 CONJUGATED POLYMER AND APPLICATION THEREOF RAYNERGY TEK INC. (TW) 2020-05-07 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 (2 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-11737351-B2 Organic semiconductor material and organic photoelectric device using the same PPOX, GJA1, GJB2 CYP1A2 262/4885CCR1 2822/4885CCR5 3558/4885
US-20200328361-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC PHOTOVOLATIC DEVICE USING THE SAME GJA1, GJB2, L1CAM CYP1A2 544/4885CCR1 2322/4885CCR5 3090/4885

“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.