SCHEMBL19638079

SCHEMBL19638079

COc1ccc(-c2nc(N)sc2Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.57
WDR5 P61964 1/20 0.57
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.50
ADORA1 P30542 2/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL8067414 0.83 MAPT (0.69) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL19650376 0.83 MYC (0.60) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL20703602 0.83 HSD17B10 (0.54) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL7050538 0.83 MAPT (0.59) MYCWDR5MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9548025 0.81 KDM4E (0.67) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL558439 0.81 ALDH1A1 (0.68) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL201690 0.81 ALDH1A1 (0.68) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL19638014 0.80 MYC (0.57) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL16669665 0.78 ALDH1A1 (0.75) MYCWDR5MAPTALDH1A1KDM4E
SCHEMBL20767251 0.78 ALDH1A1 (0.67) MYCWDR5MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN disclosed
US-10913714-B2 Pyrrole sulfonyl derivative, preparation method and medical use thereof JIANGSU CAREPHAR PHARMACEUTICAL CO., LTD (CN) 2021-02-09 US disclosed
CN-107207432-B Pyrroles's sulphonyl analog derivative, preparation method and its application in medicine 江苏柯菲平医药股份有限公司 2019-09-17 CN disclosed
EP-3248963-B1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU CAREPHAR PHARMACEUTICAL CO LTD (CN) 2019-07-17 EP disclosed
EP-3248964-B1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA SL (ES) 2019-07-17 EP disclosed
US-10238637-B2 Modulators of the adenosine A3 receptors PALOBIOFARMA, S.L. (ES) 2019-03-26 US disclosed
US-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-09-20 US disclosed
US-20180009749-A1 Pyrrole Sulfonyl Derivative, Preparation Method and Medical Use thereof JIANGSU CAREFREE PHARMACEUTICAL CO., LTD (CN) 2018-01-11 US disclosed
EP-3248963-A1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD AND MEDICAL USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2017-11-29 EP disclosed
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 EP disclosed
CN-107207432-A Pyrroles's sulphonyl analog derivative, its preparation method and its in application pharmaceutically 江苏柯菲平医药股份有限公司 2017-09-26 CN 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-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS ADORA3, ADORA2A, ADORA1 MYC 4788/4885WDR5 3585/4885MAPT 3832/4885
US-20180009749-A1 Pyrrole Sulfonyl Derivative, Preparation Method and Medical Use thereof GIPR, PGC, ABCB11 MYC 4193/4885WDR5 3457/4885MAPT 4058/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 MYC 4788/4885WDR5 3585/4885MAPT 3832/4885
US-10913714-B2 Pyrrole sulfonyl derivative, preparation method and medical use thereof GIPR, PGC, ABCB11 MYC 4193/4885WDR5 3457/4885MAPT 4058/4885

“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.