SCHEMBL20149732

SCHEMBL20149732

CC(C)(O)c1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
TBXA2R P21731 2/20 0.51
HTR3A P46098 1/20 0.51
ALOX5AP P20292 1/20 0.51
HRH1 P35367 8/20 0.50
CYP2D6 P10635 6/20 0.50
CHRM1 P11229 6/20 0.50
KCNH2 Q12809 5/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 2/20 0.49
DRD2 P14416 1/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL9541940 0.84 RAB9A (0.53) RAB9ATBXA2RHTR3AALOX5APHRH1
SCHEMBL3718063 0.77 RAB9A (0.67) RAB9ATBXA2RHTR3AALOX5APHRH1
SCHEMBL7756931 0.77 TNF (0.64) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL7761652 0.76 TP53 (0.63) RAB9AHTR3AALOX5APHRH1CYP2D6
SCHEMBL7761087 0.76 GALR3 (0.67) RAB9ATBXA2RHRH1CYP2D6KCNH2
SCHEMBL8881382 0.76 RAB9A (0.65) RAB9ATBXA2RHTR3AALOX5APHRH1
SCHEMBL9537915 0.76 RAB9A (0.65) RAB9ATBXA2RHTR3AALOX5APHRH1
SCHEMBL9630558 0.76 TNF (0.75) RAB9ATBXA2RHTR3AALOX5APHRH1
SCHEMBL24041745 0.75 CYP2C9 (0.54) RAB9ACYP2D6LMNAMAPTTP53
SCHEMBL30195176 0.75 GALR3 (0.68) RAB9ATBXA2RALOX5APLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000529-B2 Human papilloma virus replication inhibitors Icosagen Cell Factory Oü (EE) 2021-05-11 US disclosed
US-20200046730-A1 Human papilloma virus replication inhibitors Icosagen Cell Factory Oü (EE) 2020-02-13 US disclosed
US-10543218-B2 Human papilloma virus replication inhibitors Icosagen Cell Factory Oü (EE) 2020-01-28 US disclosed
US-20180133228-A1 Human papilloma virus replication inhibitors Icosagen Cell Factory Oü (EE) 2018-05-17 US disclosed
US-20180133228-A1 Human papilloma virus replication inhibitors Icosagen Cell Factory Oü (EE) 2018-05-17 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 (4 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-20200046730-A1 Human papilloma virus replication inhibitors PCNA, CDKN1A, EIF2AK2 RAB9A 2129/4885TBXA2R 4058/4885HTR3A 2673/4885
US-20180133228-A1 Human papilloma virus replication inhibitors PCNA, CDKN1A, EIF2AK2 RAB9A 2194/4885TBXA2R 4152/4885HTR3A 3723/4885
US-11000529-B2 Human papilloma virus replication inhibitors PCNA, CDKN1A, EIF2AK2 RAB9A 2129/4885TBXA2R 4058/4885HTR3A 2673/4885
US-10543218-B2 Human papilloma virus replication inhibitors PCNA, CDKN1A, EIF2AK2 RAB9A 2194/4885TBXA2R 4152/4885HTR3A 3723/4885

“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.