SCHEMBL4402444

SCHEMBL4402444

CC(C)(C)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FFAR1 O14842 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CYP2A6 P11509 1/20 0.42
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CETP P11597 1/20 0.41

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
SCHEMBL2734459 0.84 HRH3 (0.47) HRH3HTTSMN1; SMN2NPC1RAB9A
SCHEMBL4472579 0.82 HRH3 (0.54) HRH3HTTSMN1; SMN2FFAR1CYP1A2
SCHEMBL8270139 0.81 HRH3 (0.56) HRH3HTTSMN1; SMN2FFAR1CYP1A2
SCHEMBL18729495 0.81 BRS3 (0.51) HTTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL18790907 0.81 ASIC3 (0.47) HTR1AHTR7TGFBR1
SCHEMBL22387811 0.79 CYP1A2 (0.53) HRH3FFAR1CYP1A2CYP2D6CYP19A1
SCHEMBL2482401 0.79 HRH3 (0.54) HRH3HTTSMN1; SMN2FFAR1CYP1A2
SCHEMBL197793 0.78 GGPS1 (0.44)
SCHEMBL22134624 0.78 ASIC3 (0.44) HCRTR1HCRTR2HTR1AHTR7
SCHEMBL2696099 0.78 HRH3 (0.56) HRH3HTTSMN1; SMN2FFAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 US disclosed
US-20220220049-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
US-11203584-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-12-21 US disclosed
US-20210206741-A1 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-07-08 US disclosed
US-9818951-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-11-14 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (6 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-20220220049-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS HCN2, EPCAM, EFNA1 HRH3 913/4885HTT 258/4885SMN1; SMN2 2482/4885
US-20210206741-A1 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 HRH3 340/4885HTT 2638/4885SMN1; SMN2 1446/4885
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 HRH3 340/4885HTT 2638/4885SMN1; SMN2 1446/4885
US-11203584-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 HRH3 340/4885HTT 2638/4885SMN1; SMN2 1446/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HRH3 1134/4885HTT 1328/4885SMN1; SMN2 3820/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HRH3 1134/4885HTT 1328/4885SMN1; SMN2 3820/4885

“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.