SCHEMBL21777004

SCHEMBL21777004

CCc1ccc(-c2nnc(O)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
NPC1 O15118 7/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
ADCY1 Q08828 2/20 0.48
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 4/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.41
ADCY8 P40145 1/20 0.40
SNCA P37840 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10062469 0.86 NOTUM (0.55) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21776999 0.80 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL762899 0.79 NPC1 (0.65) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8429484 0.79 NOTUM (0.49) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22996209 0.79 KDM4E (0.66) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27721644 0.78 NPC1 (0.70) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17335667 0.77 POLB (0.55) NPC1RAB9ASMN1; SMN2MAPTADCY1
SCHEMBL22996164 0.76 ALDH1A1 (0.42) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12171111 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTADCY1
SCHEMBL21336118 0.75 HPGD (0.64) NOTUMNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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 (5 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-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 NOTUM 3292/4885NPC1 2617/4885RAB9A 3104/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885NPC1 51/4885RAB9A 2177/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 NOTUM 4148/4885NPC1 3086/4885RAB9A 809/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885NPC1 7/4885RAB9A 1162/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 NOTUM 3292/4885NPC1 2617/4885RAB9A 3104/4885

“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.